 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_LCPBE_augccpVDZ.in
 Output=24_bromohexahelicene_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/24_bromohexahelicene_STD/Gau-22887.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22889.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=24_bromohexahelicene_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=019500
 0000,3/108=0195000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=195000000,108=195000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  1.9840000000D-04
     Exponent=  9.5938000000D+04 Coefficients=  1.5400000000D-03
     Exponent=  2.1833000000D+04 Coefficients=  8.0096000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  3.2734100000D-02
     Exponent=  2.0157000000D+03 Coefficients=  1.0744800000D-01
     Exponent=  7.2710000000D+02 Coefficients=  2.6889460000D-01
     Exponent=  2.8328000000D+02 Coefficients=  4.2044110000D-01
     Exponent=  1.1591000000D+02 Coefficients=  2.8380410000D-01
     Exponent=  3.6124000000D+01 Coefficients=  3.1545500000D-02
     Exponent=  1.5532000000D+01 Coefficients= -7.4268000000D-03
     Exponent=  4.7857000000D+00 Coefficients=  2.7728000000D-03
     Exponent=  2.0817000000D+00 Coefficients= -1.3635000000D-03
     Exponent=  4.2028000000D-01 Coefficients=  3.8120000000D-04
     Exponent=  1.6069000000D-01 Coefficients= -1.6150000000D-04
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -6.2500000000D-05
     Exponent=  9.5938000000D+04 Coefficients= -4.8160000000D-04
     Exponent=  2.1833000000D+04 Coefficients= -2.5466000000D-03
     Exponent=  6.1819000000D+03 Coefficients= -1.0411200000D-02
     Exponent=  2.0157000000D+03 Coefficients= -3.6517900000D-02
     Exponent=  7.2710000000D+02 Coefficients= -9.9629500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.1413100000D-01
     Exponent=  1.1591000000D+02 Coefficients= -1.8609110000D-01
     Exponent=  3.6124000000D+01 Coefficients=  4.6282610000D-01
     Exponent=  1.5532000000D+01 Coefficients=  6.4411410000D-01
     Exponent=  4.7857000000D+00 Coefficients=  8.2550200000D-02
     Exponent=  2.0817000000D+00 Coefficients= -1.4969400000D-02
     Exponent=  4.2028000000D-01 Coefficients=  3.5288000000D-03
     Exponent=  1.6069000000D-01 Coefficients= -1.4909000000D-03
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  2.4800000000D-05
     Exponent=  9.5938000000D+04 Coefficients=  1.9190000000D-04
     Exponent=  2.1833000000D+04 Coefficients=  1.0100000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  4.1659000000D-03
     Exponent=  2.0157000000D+03 Coefficients=  1.4568300000D-02
     Exponent=  7.2710000000D+02 Coefficients=  4.0834500000D-02
     Exponent=  2.8328000000D+02 Coefficients=  8.9485900000D-02
     Exponent=  1.1591000000D+02 Coefficients=  8.7278600000D-02
     Exponent=  3.6124000000D+01 Coefficients= -2.9336440000D-01
     Exponent=  1.5532000000D+01 Coefficients= -5.6671090000D-01
     Exponent=  4.7857000000D+00 Coefficients=  5.1056580000D-01
     Exponent=  2.0817000000D+00 Coefficients=  7.4772140000D-01
     Exponent=  4.2028000000D-01 Coefficients=  4.2151200000D-02
     Exponent=  1.6069000000D-01 Coefficients= -1.0661200000D-02
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -7.6000000000D-06
     Exponent=  9.5938000000D+04 Coefficients= -5.8800000000D-05
     Exponent=  2.1833000000D+04 Coefficients= -3.0920000000D-04
     Exponent=  6.1819000000D+03 Coefficients= -1.2766000000D-03
     Exponent=  2.0157000000D+03 Coefficients= -4.4634000000D-03
     Exponent=  7.2710000000D+02 Coefficients= -1.2557500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.7614500000D-02
     Exponent=  1.1591000000D+02 Coefficients= -2.7394500000D-02
     Exponent=  3.6124000000D+01 Coefficients=  9.6409400000D-02
     Exponent=  1.5532000000D+01 Coefficients=  1.9768710000D-01
     Exponent=  4.7857000000D+00 Coefficients= -2.2666930000D-01
     Exponent=  2.0817000000D+00 Coefficients= -5.2411650000D-01
     Exponent=  4.2028000000D-01 Coefficients=  6.8898650000D-01
     Exponent=  1.6069000000D-01 Coefficients=  5.3443310000D-01
 S 1 1.00
     Exponent=  1.6069000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.6946000000D-02 Coefficients=  1.0000000000D+00
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.4448000000D-03
     Exponent=  1.0289000000D+03 Coefficients=  1.2128800000D-02
     Exponent=  3.3202000000D+02 Coefficients=  6.0807700000D-02
     Exponent=  1.2516000000D+02 Coefficients=  2.0093580000D-01
     Exponent=  5.1511000000D+01 Coefficients=  4.0474190000D-01
     Exponent=  2.2281000000D+01 Coefficients=  3.9571510000D-01
     Exponent=  9.3417000000D+00 Coefficients=  1.1022130000D-01
     Exponent=  4.0132000000D+00 Coefficients= -9.0900000000D-04
     Exponent=  1.7002000000D+00 Coefficients=  2.4832000000D-03
     Exponent=  4.7194000000D-01 Coefficients= -5.7440000000D-04
     Exponent=  1.4421000000D-01 Coefficients=  1.6910000000D-04
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients= -5.8190000000D-04
     Exponent=  1.0289000000D+03 Coefficients= -4.9065000000D-03
     Exponent=  3.3202000000D+02 Coefficients= -2.5251400000D-02
     Exponent=  1.2516000000D+02 Coefficients= -8.6944500000D-02
     Exponent=  5.1511000000D+01 Coefficients= -1.8934220000D-01
     Exponent=  2.2281000000D+01 Coefficients= -1.7108820000D-01
     Exponent=  9.3417000000D+00 Coefficients=  2.3687550000D-01
     Exponent=  4.0132000000D+00 Coefficients=  5.8984000000D-01
     Exponent=  1.7002000000D+00 Coefficients=  3.1719440000D-01
     Exponent=  4.7194000000D-01 Coefficients=  1.7983300000D-02
     Exponent=  1.4421000000D-01 Coefficients= -1.4683000000D-03
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.5180000000D-04
     Exponent=  1.0289000000D+03 Coefficients=  1.2563000000D-03
     Exponent=  3.3202000000D+02 Coefficients=  6.6224000000D-03
     Exponent=  1.2516000000D+02 Coefficients=  2.2381600000D-02
     Exponent=  5.1511000000D+01 Coefficients=  5.0971700000D-02
     Exponent=  2.2281000000D+01 Coefficients=  4.1400900000D-02
     Exponent=  9.3417000000D+00 Coefficients= -7.0397000000D-02
     Exponent=  4.0132000000D+00 Coefficients= -2.2325400000D-01
     Exponent=  1.7002000000D+00 Coefficients= -5.6417900000D-02
     Exponent=  4.7194000000D-01 Coefficients=  5.8080790000D-01
     Exponent=  1.4421000000D-01 Coefficients=  5.5081320000D-01
 P 1 1.00
     Exponent=  1.4421000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1049000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.0483000000D+02 Coefficients=  2.2658300000D-02
     Exponent=  3.0272000000D+01 Coefficients=  1.3458950000D-01
     Exponent=  1.0649000000D+01 Coefficients=  3.6471810000D-01
     Exponent=  3.8696000000D+00 Coefficients=  4.9041960000D-01
     Exponent=  1.3239000000D+00 Coefficients=  2.7138850000D-01
 D 1 1.00
     Exponent=  4.0980000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7190000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  108 primitive shells out of 948 were deleted.
 There are   824 symmetry adapted cartesian basis functions of A   symmetry.
 There are   769 symmetry adapted basis functions of A   symmetry.
   769 basis functions,  1559 primitive gaussians,   824 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.195000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.195000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              13.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   769 RedAO= T EigKep=  1.01D-06  NBF=   769
 NBsUse=   757 1.00D-06 EigRej=  9.38D-07 NBFU=   757
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   824   824   824   824   824 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:              21.9 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:15 2021, MaxMem=  5637144576 cpu:              28.2 elap:               3.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635772606 LenY=  5635092806
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3570.50009047936    
 DIIS: error= 3.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3570.50009047936     IErMin= 1 ErrMin= 3.38D-03
 ErrMax= 3.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-02 BMatP= 2.74D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 GapD=    0.250 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.73D-02 MaxDP=6.93D+00              OVMax= 1.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.64D-02    CP:  1.41D+00
 E= -3570.51950746781     Delta-E=       -0.019416988455 Rises=F Damp=F
 DIIS: error= 4.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3570.51950746781     IErMin= 2 ErrMin= 4.40D-04
 ErrMax= 4.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-04 BMatP= 2.74D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.40D-03
 Coeff-Com: -0.128D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.128D-02 0.100D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.03D-02 MaxDP=1.07D+00 DE=-1.94D-02 OVMax= 5.20D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.73D-03    CP:  1.48D+00  1.13D+00
 E= -3570.51991285134     Delta-E=       -0.000405383524 Rises=F Damp=F
 DIIS: error= 2.84D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3570.51991285134     IErMin= 3 ErrMin= 2.84D-04
 ErrMax= 2.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-04 BMatP= 3.77D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.84D-03
 Coeff-Com: -0.109D-01 0.326D+00 0.685D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.109D-01 0.325D+00 0.686D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.09D-03 MaxDP=9.95D-02 DE=-4.05D-04 OVMax= 3.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.47D-04    CP:  1.49D+00  1.15D+00  1.07D+00
 E= -3570.52000816143     Delta-E=       -0.000095310095 Rises=F Damp=F
 DIIS: error= 1.38D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3570.52000816143     IErMin= 4 ErrMin= 1.38D-04
 ErrMax= 1.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-05 BMatP= 1.21D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.38D-03
 Coeff-Com: -0.592D-02 0.622D-01 0.365D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.190D+00 0.810D+00
 Coeff:     -0.591D-02 0.621D-01 0.365D+00 0.579D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.69D-04 MaxDP=4.08D-02 DE=-9.53D-05 OVMax= 2.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.51D-04    CP:  1.49D+00  1.15D+00  1.13D+00  1.02D+00
 E= -3570.52004875772     Delta-E=       -0.000040596283 Rises=F Damp=F
 DIIS: error= 4.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3570.52004875772     IErMin= 5 ErrMin= 4.54D-05
 ErrMax= 4.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-06 BMatP= 3.88D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-02-0.162D-01 0.948D-01 0.307D+00 0.616D+00
 Coeff:     -0.145D-02-0.162D-01 0.948D-01 0.307D+00 0.616D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.22D-04 MaxDP=1.14D-02 DE=-4.06D-05 OVMax= 8.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.72D-05    CP:  1.49D+00  1.15D+00  1.15D+00  1.07D+00  1.02D+00
 E= -3570.52005454235     Delta-E=       -0.000005784630 Rises=F Damp=F
 DIIS: error= 1.79D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3570.52005454235     IErMin= 6 ErrMin= 1.79D-05
 ErrMax= 1.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-07 BMatP= 5.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-03-0.152D-01-0.988D-02 0.567D-01 0.272D+00 0.696D+00
 Coeff:      0.221D-03-0.152D-01-0.988D-02 0.567D-01 0.272D+00 0.696D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.18D-05 MaxDP=2.91D-03 DE=-5.78D-06 OVMax= 3.73D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.04D+00
                    CP:  9.38D-01
 E= -3570.52005532138     Delta-E=       -0.000000779030 Rises=F Damp=F
 DIIS: error= 8.94D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3570.52005532138     IErMin= 7 ErrMin= 8.94D-06
 ErrMax= 8.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.02D-08 BMatP= 4.78D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-03-0.469D-02-0.182D-01-0.189D-01 0.312D-01 0.331D+00
 Coeff-Com:  0.679D+00
 Coeff:      0.327D-03-0.469D-02-0.182D-01-0.189D-01 0.312D-01 0.331D+00
 Coeff:      0.679D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=9.23D-06 MaxDP=1.39D-03 DE=-7.79D-07 OVMax= 1.84D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.08D-06    CP:  1.49D+00  1.15D+00  1.16D+00  1.11D+00  1.05D+00
                    CP:  9.76D-01  9.74D-01
 E= -3570.52005549412     Delta-E=       -0.000000172748 Rises=F Damp=F
 DIIS: error= 3.04D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3570.52005549412     IErMin= 8 ErrMin= 3.04D-06
 ErrMax= 3.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-08 BMatP= 9.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.443D-04 0.180D-02-0.393D-02-0.194D-01-0.525D-01-0.281D-01
 Coeff-Com:  0.242D+00 0.860D+00
 Coeff:      0.443D-04 0.180D-02-0.393D-02-0.194D-01-0.525D-01-0.281D-01
 Coeff:      0.242D+00 0.860D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.07D-06 MaxDP=5.09D-04 DE=-1.73D-07 OVMax= 1.09D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.74D-06    CP:  1.49D+00  1.15D+00  1.16D+00  1.11D+00  1.05D+00
                    CP:  9.96D-01  1.02D+00  9.20D-01
 E= -3570.52005552691     Delta-E=       -0.000000032787 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3570.52005552691     IErMin= 9 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-09 BMatP= 1.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.261D-04 0.155D-02 0.762D-03-0.669D-02-0.315D-01-0.607D-01
 Coeff-Com:  0.214D-01 0.438D+00 0.638D+00
 Coeff:     -0.261D-04 0.155D-02 0.762D-03-0.669D-02-0.315D-01-0.607D-01
 Coeff:      0.214D-01 0.438D+00 0.638D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.94D-06 MaxDP=1.47D-04 DE=-3.28D-08 OVMax= 2.90D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.31D-06    CP:  1.49D+00  1.15D+00  1.16D+00  1.11D+00  1.05D+00
                    CP:  9.93D-01  1.03D+00  9.00D-01  1.00D+00
 E= -3570.52005553198     Delta-E=       -0.000000005067 Rises=F Damp=F
 DIIS: error= 2.21D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3570.52005553198     IErMin=10 ErrMin= 2.21D-07
 ErrMax= 2.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-10 BMatP= 2.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-04 0.213D-03 0.772D-03 0.912D-03-0.182D-02-0.137D-01
 Coeff-Com: -0.313D-01 0.120D-01 0.169D+00 0.864D+00
 Coeff:     -0.133D-04 0.213D-03 0.772D-03 0.912D-03-0.182D-02-0.137D-01
 Coeff:     -0.313D-01 0.120D-01 0.169D+00 0.864D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=8.48D-07 MaxDP=4.47D-05 DE=-5.07D-09 OVMax= 1.06D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.29D-07    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.90D-01  1.01D+00  8.95D-01  1.12D+00  1.14D+00
 E= -3570.52005553052     Delta-E=        0.000000001460 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -3570.52005553198     IErMin=11 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-11 BMatP= 1.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.475D-05-0.420D-04 0.347D-03 0.121D-02 0.236D-02-0.113D-02
 Coeff-Com: -0.197D-01-0.384D-01 0.240D-01 0.477D+00 0.555D+00
 Coeff:     -0.475D-05-0.420D-04 0.347D-03 0.121D-02 0.236D-02-0.113D-02
 Coeff:     -0.197D-01-0.384D-01 0.240D-01 0.477D+00 0.555D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.91D-07 MaxDP=1.96D-05 DE= 1.46D-09 OVMax= 3.05D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.79D-07    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.88D-01  1.01D+00  8.91D-01  1.16D+00  1.23D+00
                    CP:  1.33D+00
 E= -3570.52005553132     Delta-E=       -0.000000000807 Rises=F Damp=F
 DIIS: error= 3.81D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -3570.52005553198     IErMin=12 ErrMin= 3.81D-08
 ErrMax= 3.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-12 BMatP= 5.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.537D-06-0.466D-04-0.120D-04 0.212D-03 0.991D-03 0.173D-02
 Coeff-Com: -0.888D-03-0.123D-01-0.189D-01 0.106D-01 0.160D+00 0.858D+00
 Coeff:      0.537D-06-0.466D-04-0.120D-04 0.212D-03 0.991D-03 0.173D-02
 Coeff:     -0.888D-03-0.123D-01-0.189D-01 0.106D-01 0.160D+00 0.858D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=5.57D-07 MaxDP=3.38D-05 DE=-8.07D-10 OVMax= 1.37D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.09D-07    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.87D-01  1.01D+00  8.91D-01  1.22D+00  1.35D+00
                    CP:  1.98D+00  1.95D+00
 E= -3570.52005553151     Delta-E=       -0.000000000186 Rises=F Damp=F
 DIIS: error= 2.05D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -3570.52005553198     IErMin=13 ErrMin= 2.05D-08
 ErrMax= 2.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-13 BMatP= 2.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.738D-06-0.137D-04-0.401D-04-0.481D-04 0.114D-03 0.754D-03
 Coeff-Com:  0.174D-02-0.384D-03-0.102D-01-0.471D-01-0.316D-02 0.315D+00
 Coeff-Com:  0.744D+00
 Coeff:      0.738D-06-0.137D-04-0.401D-04-0.481D-04 0.114D-03 0.754D-03
 Coeff:      0.174D-02-0.384D-03-0.102D-01-0.471D-01-0.316D-02 0.315D+00
 Coeff:      0.744D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.38D-07 MaxDP=3.78D-05 DE=-1.86D-10 OVMax= 5.65D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.95D-08    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.86D-01  1.01D+00  8.94D-01  1.28D+00  1.48D+00
                    CP:  2.70D+00  3.00D+00  2.12D+00
 E= -3570.52005553098     Delta-E=        0.000000000528 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=10 EnMin= -3570.52005553198     IErMin=13 ErrMin= 2.05D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-13 BMatP= 5.38D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-06-0.705D-06-0.187D-04-0.526D-04-0.810D-04 0.152D-03
 Coeff-Com:  0.992D-03 0.151D-02-0.302D-02-0.256D-01-0.232D-01 0.444D-01
 Coeff-Com:  0.374D+00 0.631D+00
 Coeff:      0.301D-06-0.705D-06-0.187D-04-0.526D-04-0.810D-04 0.152D-03
 Coeff:      0.992D-03 0.151D-02-0.302D-02-0.256D-01-0.232D-01 0.444D-01
 Coeff:      0.374D+00 0.631D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.51D-07 MaxDP=4.42D-05 DE= 5.28D-10 OVMax= 2.89D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.42D-07    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.86D-01  1.01D+00  8.98D-01  1.36D+00  1.63D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3570.52005553151     Delta-E=       -0.000000000524 Rises=F Damp=F
 DIIS: error= 3.44D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=10 EnMin= -3570.52005553198     IErMin=13 ErrMin= 2.05D-08
 ErrMax= 3.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-13 BMatP= 2.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.325D-06-0.695D-06-0.200D-04-0.569D-04-0.884D-04 0.160D-03
 Coeff-Com:  0.107D-02 0.164D-02-0.320D-02-0.275D-01-0.253D-01 0.461D-01
 Coeff-Com:  0.403D+00 0.692D+00-0.878D-01
 Coeff:      0.325D-06-0.695D-06-0.200D-04-0.569D-04-0.884D-04 0.160D-03
 Coeff:      0.107D-02 0.164D-02-0.320D-02-0.275D-01-0.253D-01 0.461D-01
 Coeff:      0.403D+00 0.692D+00-0.878D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.05D-07 MaxDP=6.24D-06 DE=-5.24D-10 OVMax= 1.17D-08

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  3.30D-08    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.86D-01  1.01D+00  8.98D-01  1.35D+00  1.61D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  8.08D-01
 E= -3570.52005553109     Delta-E=        0.000000000414 Rises=F Damp=F
 DIIS: error= 3.32D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3570.52005553198     IErMin=13 ErrMin= 2.05D-08
 ErrMax= 3.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-13 BMatP= 1.98D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.28D-16
 Inversion failed.  Reducing to 15 matrices.
 Large coefficients: NSaved= 15 BigCof=   17.29 CofMax=   10.00 Det=-3.33D-16
 Inversion failed.  Reducing to 14 matrices.
 Large coefficients: NSaved= 14 BigCof=   16.61 CofMax=   10.00 Det=-3.45D-16
 Inversion failed.  Reducing to 13 matrices.
 Large coefficients: NSaved= 13 BigCof=   16.77 CofMax=   10.00 Det=-3.47D-16
 Inversion failed.  Reducing to 12 matrices.
 Large coefficients: NSaved= 12 BigCof=   16.84 CofMax=   10.00 Det=-3.48D-16
 Inversion failed.  Reducing to 11 matrices.
 Large coefficients: NSaved= 11 BigCof=   16.32 CofMax=   10.00 Det=-3.59D-16
 Inversion failed.  Reducing to 10 matrices.
 Large coefficients: NSaved= 10 BigCof=   16.38 CofMax=   10.00 Det=-3.59D-16
 Inversion failed.  Reducing to  9 matrices.
 Large coefficients: NSaved=  9 BigCof=   16.34 CofMax=   10.00 Det=-3.65D-16
 Inversion failed.  Reducing to  8 matrices.
 Large coefficients: NSaved=  8 BigCof=   16.28 CofMax=   10.00 Det=-3.66D-16
 Inversion failed.  Reducing to  7 matrices.
 Large coefficients: NSaved=  7 BigCof=   16.44 CofMax=   10.00 Det=-3.70D-16
 Inversion failed.  Reducing to  6 matrices.
 Large coefficients: NSaved=  6 BigCof=   15.89 CofMax=   10.00 Det=-3.77D-16
 Inversion failed.  Reducing to  5 matrices.
 Large coefficients: NSaved=  5 BigCof=   14.86 CofMax=   10.00 Det=-3.91D-16
 Inversion failed.  Reducing to  4 matrices.
 Large coefficients: NSaved=  4 BigCof=   14.45 CofMax=   10.00 Det=-4.23D-16
 Inversion failed.  Reducing to  3 matrices.
 Large coefficients: NSaved=  3 BigCof=   14.14 CofMax=   10.00 Det=-4.67D-16
 Inversion failed.  Reducing to  2 matrices.
 Large coefficients: NSaved=  2 BigCof=   14.14 CofMax=   10.00 Det=-4.67D-16
 Coeff-Com: -0.131D+02 0.141D+02
 Coeff:     -0.131D+02 0.141D+02
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=8.32D-07 MaxDP=4.55D-05 DE= 4.14D-10 OVMax= 1.15D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.86D-01  1.01D+00  8.93D-01  1.26D+00  1.43D+00
                    CP:  2.50D+00  2.83D+00  1.80D+00  4.38D-01 -2.75D-02
                    CP: -1.43D-01
 E= -3570.52005553115     Delta-E=       -0.000000000061 Rises=F Damp=F
 DIIS: error= 2.42D-08 at cycle  17 NSaved=   3.
 NSaved= 3 IEnMin= 1 EnMin= -3570.52005553151     IErMin= 3 ErrMin= 2.42D-08
 ErrMax= 2.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-13 BMatP= 1.86D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved=  3 BigCof=   18.11 CofMax=   10.00 Det=-4.11D-16
 Inversion failed.  Reducing to  2 matrices.
 Coeff-Com:  0.536D+00 0.464D+00
 Coeff:      0.536D+00 0.464D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.54D-06 MaxDP=8.77D-05 DE=-6.09D-11 OVMax= 1.61D-07

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  9.05D-08    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.85D-01  1.02D+00  9.02D-01  1.43D+00  1.75D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.11D+00
                    CP: -3.00D+00  6.18D-02
 E= -3570.52005553033     Delta-E=        0.000000000826 Rises=F Damp=F
 DIIS: error= 4.06D-08 at cycle  18 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -3570.52005553115     IErMin= 2 ErrMin= 2.42D-08
 ErrMax= 4.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-13 BMatP= 1.86D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.249D+01 0.520D-01-0.154D+01
 Coeff:      0.249D+01 0.520D-01-0.154D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.09D-06 MaxDP=6.35D-05 DE= 8.26D-10 OVMax= 1.75D-07

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  6.47D-08    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.86D-01  1.01D+00  8.96D-01  1.31D+00  1.52D+00
                    CP:  3.00D+00  3.00D+00  2.61D+00  1.93D+00  1.91D-01
                    CP:  1.88D+00  4.49D-01  2.00D-02
 E= -3570.52005553125     Delta-E=       -0.000000000925 Rises=F Damp=F
 DIIS: error= 2.85D-08 at cycle  19 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3570.52005553125     IErMin= 2 ErrMin= 2.42D-08
 ErrMax= 2.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-13 BMatP= 1.86D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D+01 0.122D+00-0.221D+01 0.150D+01
 Coeff:      0.159D+01 0.122D+00-0.221D+01 0.150D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=9.15D-05 DE=-9.25D-10 OVMax= 7.12D-08

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  8.66D-08    CP:  1.49D+00  1.15D+00  1.16D+00  1.10D+00  1.05D+00
                    CP:  9.87D-01  1.01D+00  8.88D-01  1.14D+00  1.20D+00
                    CP:  1.26D+00  8.58D-01 -1.56D-01 -5.73D-01  2.58D-02
                    CP:  5.80D-01  1.00D+00  7.56D-02  3.91D-01
 E= -3570.52005553186     Delta-E=       -0.000000000609 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  20 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-14 BMatP= 1.77D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D+01 0.294D+00-0.271D+00 0.841D+00 0.118D+01
 Coeff:     -0.104D+01 0.294D+00-0.271D+00 0.841D+00 0.118D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=5.97D-05 DE=-6.09D-10 OVMax= 1.67D-07

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3570.52005552746     Delta-E=        0.000000004402 Rises=F Damp=F
 DIIS: error= 1.41D-07 at cycle  21 NSaved=   6.
 NSaved= 6 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D+01 0.293D+00-0.106D+00 0.711D+00 0.109D+01 0.256D-01
 Coeff:     -0.102D+01 0.293D+00-0.106D+00 0.711D+00 0.109D+01 0.256D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.63D-07 MaxDP=1.22D-05 DE= 4.40D-09 OVMax= 1.93D-08

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  2.52D-07    CP:  1.00D+00
 E= -3570.52005552830     Delta-E=       -0.000000000838 Rises=F Damp=F
 DIIS: error= 1.38D-07 at cycle  22 NSaved=   7.
 NSaved= 7 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D+00 0.156D+00-0.184D+00 0.445D+00 0.582D+00-0.691D+01
 Coeff-Com:  0.712D+01
 Coeff:     -0.215D+00 0.156D+00-0.184D+00 0.445D+00 0.582D+00-0.691D+01
 Coeff:      0.712D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.36D-06 MaxDP=1.16D-04 DE=-8.38D-10 OVMax= 9.66D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  1.78D-06    CP:  1.00D+00  3.00D+00
 E= -3570.52005552672     Delta-E=        0.000000001582 Rises=F Damp=F
 DIIS: error= 1.43D-07 at cycle  23 NSaved=   8.
 NSaved= 8 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-01 0.274D+00 0.824D+00-0.249D+00-0.891D-01-0.265D+01
 Coeff-Com:  0.213D+01 0.742D+00
 Coeff:      0.130D-01 0.274D+00 0.824D+00-0.249D+00-0.891D-01-0.265D+01
 Coeff:      0.213D+01 0.742D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=1.66D-04 DE= 1.58D-09 OVMax= 1.18D-07

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  8.39D-07    CP:  1.00D+00  3.00D+00  2.45D+00
 E= -3570.52005552681     Delta-E=       -0.000000000090 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle  24 NSaved=   9.
 NSaved= 9 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D+00 0.312D+00 0.932D+00-0.312D+00-0.238D+00-0.946D+00
 Coeff-Com:  0.406D+00 0.492D+00 0.227D+00
 Coeff:      0.126D+00 0.312D+00 0.932D+00-0.312D+00-0.238D+00-0.946D+00
 Coeff:      0.406D+00 0.492D+00 0.227D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.95D-07 MaxDP=4.48D-05 DE=-9.00D-11 OVMax= 2.88D-08

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  5.03D-08    CP:  1.00D+00  3.00D+00  2.76D+00  1.48D+00
 E= -3570.52005552642     Delta-E=        0.000000000391 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle  25 NSaved=  10.
 NSaved=10 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D+00 0.362D+00 0.105D+01-0.356D+00-0.348D+00 0.919D+00
 Coeff-Com: -0.152D+01 0.255D+00-0.352D+00 0.791D+00
 Coeff:      0.199D+00 0.362D+00 0.105D+01-0.356D+00-0.348D+00 0.919D+00
 Coeff:     -0.152D+01 0.255D+00-0.352D+00 0.791D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=7.66D-05 DE= 3.91D-10 OVMax= 4.97D-08

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  4.99D-07    CP:  1.00D+00  3.00D+00  3.00D+00  2.34D+00  3.00D+00
 E= -3570.52005552583     Delta-E=        0.000000000588 Rises=F Damp=F
 DIIS: error= 1.83D-07 at cycle  26 NSaved=  11.
 NSaved=11 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D+00 0.358D+00 0.106D+01-0.363D+00-0.355D+00 0.936D+00
 Coeff-Com: -0.143D+01 0.119D+00-0.508D+00 0.142D+01-0.436D+00
 Coeff:      0.199D+00 0.358D+00 0.106D+01-0.363D+00-0.355D+00 0.936D+00
 Coeff:     -0.143D+01 0.119D+00-0.508D+00 0.142D+01-0.436D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=4.73D-07 MaxDP=2.95D-05 DE= 5.88D-10 OVMax= 1.87D-08

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  1.00D+00  3.00D+00  3.00D+00  2.11D+00  2.66D+00
                    CP:  1.64D-01
 E= -3570.52005552640     Delta-E=       -0.000000000575 Rises=F Damp=F
 DIIS: error= 1.82D-07 at cycle  27 NSaved=  12.
 NSaved=12 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.63D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.963D-01 0.375D+00 0.114D+01-0.388D+00-0.323D+00 0.149D+01
 Coeff-Com: -0.196D+01 0.950D-01-0.489D+00 0.123D+01-0.269D+01 0.242D+01
 Coeff:      0.963D-01 0.375D+00 0.114D+01-0.388D+00-0.323D+00 0.149D+01
 Coeff:     -0.196D+01 0.950D-01-0.489D+00 0.123D+01-0.269D+01 0.242D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.19D-06 MaxDP=7.15D-05 DE=-5.75D-10 OVMax= 4.56D-08

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  3.54D-08    CP:  1.00D+00  3.00D+00  2.43D+00  1.67D+00  1.86D+00
                    CP: -7.06D-04  3.00D+00
 E= -3570.52005552584     Delta-E=        0.000000000562 Rises=F Damp=F
 DIIS: error= 1.73D-07 at cycle  28 NSaved=  13.
 NSaved=13 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.446D-01 0.294D+00 0.893D+00-0.298D+00-0.228D+00 0.117D+01
 Coeff-Com: -0.175D+01 0.388D+00 0.318D+00 0.762D+00-0.992D+01 0.684D+01
 Coeff-Com:  0.249D+01
 Coeff:      0.446D-01 0.294D+00 0.893D+00-0.298D+00-0.228D+00 0.117D+01
 Coeff:     -0.175D+01 0.388D+00 0.318D+00 0.762D+00-0.992D+01 0.684D+01
 Coeff:      0.249D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.21D-06 MaxDP=4.51D-04 DE= 5.62D-10 OVMax= 2.84D-07

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  4.81D-07    CP:  1.00D+00 -3.00D+00 -2.84D-01 -2.27D+00 -3.00D+00
                    CP: -4.35D-02  3.00D+00  2.97D+00
 E= -3570.52005552741     Delta-E=       -0.000000001567 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle  29 NSaved=  14.
 NSaved=14 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 14 BigCof=   13.23 CofMax=   10.00 Det=-5.25D-18
 Inversion failed.  Reducing to 13 matrices.
 Coeff-Com:  0.267D+00 0.337D+00 0.100D+01-0.358D+00-0.372D+00 0.201D+00
 Coeff-Com: -0.509D+00-0.113D+00-0.115D+01 0.222D+01 0.209D+00-0.104D+01
 Coeff-Com:  0.307D+00
 Coeff:      0.267D+00 0.337D+00 0.100D+01-0.358D+00-0.372D+00 0.201D+00
 Coeff:     -0.509D+00-0.113D+00-0.115D+01 0.222D+01 0.209D+00-0.104D+01
 Coeff:      0.307D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.62D-06 MaxDP=4.75D-04 DE=-1.57D-09 OVMax= 2.99D-07

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.00D+00  3.00D+00  2.67D+00  1.70D+00  8.20D-01
                    CP: -5.30D-04  4.87D-02  1.10D-01  4.58D-03
 E= -3570.52005552623     Delta-E=        0.000000001174 Rises=F Damp=F
 DIIS: error= 1.76D-07 at cycle  30 NSaved=  14.
 NSaved=14 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.343D+00 0.346D+00 0.103D+01-0.379D+00-0.405D+00-0.535D+00
 Coeff-Com:  0.682D-02 0.208D+00-0.686D+00 0.148D+01 0.891D+00 0.426D+00
 Coeff-Com: -0.961D-01-0.163D+01
 Coeff:      0.343D+00 0.346D+00 0.103D+01-0.379D+00-0.405D+00-0.535D+00
 Coeff:      0.682D-02 0.208D+00-0.686D+00 0.148D+01 0.891D+00 0.426D+00
 Coeff:     -0.961D-01-0.163D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.85D-06 MaxDP=1.76D-04 DE= 1.17D-09 OVMax= 1.11D-07

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  4.69D-07    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -2.20D+00  9.27D-01 -1.05D-01  5.73D-01
 E= -3570.52005552634     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle  31 NSaved=  15.
 NSaved=15 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.84D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.608D-01 0.903D-01 0.238D+00-0.584D-01-0.717D-02-0.232D+00
 Coeff-Com: -0.374D+00 0.823D+00 0.142D+01-0.202D+01-0.235D+01-0.955D+00
 Coeff-Com:  0.168D+01 0.575D+01-0.294D+01
 Coeff:     -0.608D-01 0.903D-01 0.238D+00-0.584D-01-0.717D-02-0.232D+00
 Coeff:     -0.374D+00 0.823D+00 0.142D+01-0.202D+01-0.235D+01-0.955D+00
 Coeff:      0.168D+01 0.575D+01-0.294D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=1.65D-03 DE=-1.11D-10 OVMax= 1.04D-06

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  8.82D-06    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00 -3.00D+00
                    CP: -3.00D+00  3.00D+00 -3.00D+00  3.00D+00 -1.43D-01
                    CP: -3.00D+00
 E= -3570.52005553035     Delta-E=       -0.000000004008 Rises=F Damp=F
 DIIS: error= 9.35D-08 at cycle  32 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 9.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.97D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.615D-01 0.736D-01 0.181D+00-0.357D-01 0.330D-01-0.127D+01
 Coeff-Com:  0.503D+00 0.117D+01 0.199D+01-0.285D+01-0.207D+01 0.135D+01
 Coeff-Com:  0.478D+01-0.282D+01 0.280D-01
 Coeff:     -0.615D-01 0.736D-01 0.181D+00-0.357D-01 0.330D-01-0.127D+01
 Coeff:      0.503D+00 0.117D+01 0.199D+01-0.285D+01-0.207D+01 0.135D+01
 Coeff:      0.478D+01-0.282D+01 0.280D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=8.96D-05 DE=-4.01D-09 OVMax= 5.69D-08

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  6.97D-07    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00 -3.00D+00
                    CP: -3.00D+00  3.00D+00 -3.00D+00  3.00D+00 -6.24D-02
                    CP: -3.00D+00  8.54D-01
 E= -3570.52005552952     Delta-E=        0.000000000830 Rises=F Damp=F
 DIIS: error= 7.18D-08 at cycle  33 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 7.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.98D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.222D+00 0.158D+00 0.503D+00-0.203D+00-0.169D+00-0.349D+01
 Coeff-Com:  0.310D+01 0.575D+00 0.260D+00 0.647D+00 0.110D+00 0.562D+00
 Coeff-Com: -0.131D+01 0.190D+00-0.158D+00
 Coeff:      0.222D+00 0.158D+00 0.503D+00-0.203D+00-0.169D+00-0.349D+01
 Coeff:      0.310D+01 0.575D+00 0.260D+00 0.647D+00 0.110D+00 0.562D+00
 Coeff:     -0.131D+01 0.190D+00-0.158D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=8.15D-04 DE= 8.30D-10 OVMax= 5.13D-07

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  6.23D-08    CP:  1.00D+00 -3.00D+00 -7.49D-01 -3.00D+00 -3.00D+00
                    CP: -6.93D-02  3.00D+00 -1.71D+00  1.56D+00  2.85D+00
                    CP: -1.89D-01  3.88D-02  6.41D-01
 E= -3570.52005552852     Delta-E=        0.000000001001 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle  34 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.07D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.101D+00 0.169D+00 0.480D+00-0.145D+00-0.570D-01-0.397D+01
 Coeff-Com:  0.340D+01 0.918D+00 0.797D+00-0.370D+00-0.372D+00 0.218D-01
 Coeff-Com: -0.217D+00 0.424D+00-0.189D+00
 Coeff:      0.101D+00 0.169D+00 0.480D+00-0.145D+00-0.570D-01-0.397D+01
 Coeff:      0.340D+01 0.918D+00 0.797D+00-0.370D+00-0.372D+00 0.218D-01
 Coeff:     -0.217D+00 0.424D+00-0.189D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=5.11D-06 MaxDP=3.14D-04 DE= 1.00D-09 OVMax= 1.96D-07

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  4.59D-08    CP:  1.00D+00  3.00D+00  1.02D+00 -1.27D+00 -3.00D+00
                    CP: -2.04D-02  3.00D+00 -1.41D+00  4.19D-01  1.82D+00
                    CP: -3.41D-03 -1.78D-04  2.55D-03  7.75D-01
 E= -3570.52005552749     Delta-E=        0.000000001029 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle  35 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.02D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.314D-01 0.726D-01 0.206D+00-0.484D-01-0.387D-03-0.112D+01
 Coeff-Com:  0.123D+01-0.210D+00-0.135D+01 0.373D+00-0.185D-01-0.126D+01
 Coeff-Com:  0.192D+01-0.126D+01 0.249D+01
 Coeff:     -0.314D-01 0.726D-01 0.206D+00-0.484D-01-0.387D-03-0.112D+01
 Coeff:      0.123D+01-0.210D+00-0.135D+01 0.373D+00-0.185D-01-0.126D+01
 Coeff:      0.192D+01-0.126D+01 0.249D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.29D-06 MaxDP=4.01D-04 DE= 1.03D-09 OVMax= 2.56D-07

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.00D+00 -3.00D+00 -1.05D+00 -3.00D+00 -3.00D+00
                    CP: -9.52D-02  3.00D+00 -3.00D+00  2.11D+00  3.00D+00
                    CP: -6.94D-01  1.44D-01  2.37D+00  2.94D+00  1.44D+00
 E= -3570.52005552842     Delta-E=       -0.000000000925 Rises=F Damp=F
 DIIS: error= 8.28D-08 at cycle  36 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 8.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-12 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.90D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.607D-01-0.144D-01 0.504D-01-0.279D-01 0.111D+00-0.394D+01
 Coeff-Com:  0.425D+01 0.542D-02-0.590D+00-0.694D-01 0.290D+00 0.713D-01
 Coeff-Com: -0.114D+01 0.113D+01 0.935D+00
 Coeff:     -0.607D-01-0.144D-01 0.504D-01-0.279D-01 0.111D+00-0.394D+01
 Coeff:      0.425D+01 0.542D-02-0.590D+00-0.694D-01 0.290D+00 0.713D-01
 Coeff:     -0.114D+01 0.113D+01 0.935D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.18D-06 MaxDP=1.40D-04 DE=-9.25D-10 OVMax= 8.94D-08

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  5.31D-07    CP:  1.00D+00 -3.00D+00 -2.02D+00 -3.00D+00 -3.00D+00
                    CP: -1.20D-01  3.00D+00 -3.00D+00  2.65D+00  3.00D+00
                    CP: -1.10D+00  2.28D-01  3.00D+00  3.00D+00  1.42D+00
                    CP:  1.85D+00
 E= -3570.52005552849     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 4.67D-08 at cycle  37 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 4.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.54D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.531D-01-0.218D-01 0.113D-01-0.144D-01 0.870D-01-0.287D+01
 Coeff-Com:  0.313D+01-0.265D+00-0.479D-01 0.141D+01-0.129D+01-0.846D+00
 Coeff-Com:  0.513D+00 0.679D+00 0.579D+00
 Coeff:     -0.531D-01-0.218D-01 0.113D-01-0.144D-01 0.870D-01-0.287D+01
 Coeff:      0.313D+01-0.265D+00-0.479D-01 0.141D+01-0.129D+01-0.846D+00
 Coeff:      0.513D+00 0.679D+00 0.579D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.25D-06 MaxDP=7.87D-05 DE=-7.28D-11 OVMax= 4.95D-08

 Cycle  38  Pass 1  IDiag  1:
 RMSU=  2.17D-08    CP:  1.00D+00 -3.00D+00 -2.62D+00 -3.00D+00 -3.00D+00
                    CP: -1.34D-01  3.00D+00 -3.00D+00  2.95D+00  3.00D+00
                    CP: -1.30D+00  2.69D-01  3.00D+00  3.00D+00  1.62D+00
                    CP:  2.29D+00  1.88D+00
 E= -3570.52005552855     Delta-E=       -0.000000000061 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  38 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.20D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.254D-01 0.357D-01 0.121D+00-0.512D-01-0.464D-01-0.152D+00
 Coeff-Com:  0.131D+00 0.520D-01 0.182D+01-0.186D+01-0.554D+00 0.303D+00
 Coeff-Com:  0.445D+00-0.595D-01 0.787D+00
 Coeff:      0.254D-01 0.357D-01 0.121D+00-0.512D-01-0.464D-01-0.152D+00
 Coeff:      0.131D+00 0.520D-01 0.182D+01-0.186D+01-0.554D+00 0.303D+00
 Coeff:      0.445D+00-0.595D-01 0.787D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.24D-07 MaxDP=4.65D-05 DE=-6.09D-11 OVMax= 3.14D-08

 Cycle  39  Pass 1  IDiag  1:
 RMSU=  6.41D-08    CP:  1.00D+00 -3.00D+00 -2.35D+00 -3.00D+00 -3.00D+00
                    CP: -1.30D-01  3.00D+00 -3.00D+00  2.82D+00  3.00D+00
                    CP: -1.13D+00  2.33D-01  3.00D+00  3.00D+00  1.88D+00
                    CP:  2.16D+00  1.13D+00  7.72D-01
 E= -3570.52005552890     Delta-E=       -0.000000000352 Rises=F Damp=F
 DIIS: error= 3.99D-08 at cycle  39 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 3.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.87D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.472D-01 0.725D-01 0.231D+00-0.906D-01-0.947D-01 0.579D+00
 Coeff-Com: -0.688D+00 0.142D+01-0.142D+01-0.303D+00 0.223D+00 0.317D+00
 Coeff-Com: -0.616D-01 0.189D+00 0.589D+00
 Coeff:      0.472D-01 0.725D-01 0.231D+00-0.906D-01-0.947D-01 0.579D+00
 Coeff:     -0.688D+00 0.142D+01-0.142D+01-0.303D+00 0.223D+00 0.317D+00
 Coeff:     -0.616D-01 0.189D+00 0.589D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.24D-07 MaxDP=3.86D-05 DE=-3.52D-10 OVMax= 2.68D-08

 Cycle  40  Pass 1  IDiag  1:
 RMSU=  1.31D-08    CP:  1.00D+00 -3.00D+00 -2.13D+00 -3.00D+00 -3.00D+00
                    CP: -1.22D-01  3.00D+00 -3.00D+00  2.65D+00  3.00D+00
                    CP: -9.72D-01  2.00D-01  3.00D+00  3.00D+00  1.69D+00
                    CP:  1.88D+00  4.13D-01  6.19D-02  1.46D+00
 E= -3570.52005552834     Delta-E=        0.000000000563 Rises=F Damp=F
 DIIS: error= 5.10D-08 at cycle  40 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 5.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.02D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.433D-01 0.554D-01 0.192D+00-0.805D-01-0.719D-01-0.478D-01
 Coeff-Com:  0.150D+01-0.151D+01-0.367D+00 0.142D+00 0.391D+00 0.108D+00
 Coeff-Com:  0.113D+00 0.386D+00 0.152D+00
 Coeff:      0.433D-01 0.554D-01 0.192D+00-0.805D-01-0.719D-01-0.478D-01
 Coeff:      0.150D+01-0.151D+01-0.367D+00 0.142D+00 0.391D+00 0.108D+00
 Coeff:      0.113D+00 0.386D+00 0.152D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.62D-07 MaxDP=2.34D-05 DE= 5.63D-10 OVMax= 1.51D-08

 Cycle  41  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3570.52005552760     Delta-E=        0.000000000742 Rises=F Damp=F
 DIIS: error= 4.53D-08 at cycle  41 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 4.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.02D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.364D-01 0.679D-01 0.247D+00-0.103D+00-0.785D-01-0.400D-01
 Coeff-Com:  0.155D+01-0.160D+01-0.288D+00 0.369D+00 0.268D+00-0.277D-01
 Coeff-Com:  0.120D+00 0.506D+00-0.268D-01
 Coeff:      0.364D-01 0.679D-01 0.247D+00-0.103D+00-0.785D-01-0.400D-01
 Coeff:      0.155D+01-0.160D+01-0.288D+00 0.369D+00 0.268D+00-0.277D-01
 Coeff:      0.120D+00 0.506D+00-0.268D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.32D-07 MaxDP=5.15D-06 DE= 7.42D-10 OVMax= 6.65D-09

 Cycle  42  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  1.00D+00
 E= -3570.52005552759     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 4.38D-08 at cycle  42 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 4.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.18D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.263D-02 0.418D-01 0.163D+00-0.669D-01-0.362D-01 0.180D+01
 Coeff-Com: -0.188D+01-0.363D+00 0.381D+00 0.344D+00 0.153D+00-0.860D-01
 Coeff-Com:  0.557D+00 0.197D-01-0.314D-01
 Coeff:     -0.263D-02 0.418D-01 0.163D+00-0.669D-01-0.362D-01 0.180D+01
 Coeff:     -0.188D+01-0.363D+00 0.381D+00 0.344D+00 0.153D+00-0.860D-01
 Coeff:      0.557D+00 0.197D-01-0.314D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=6.54D-05 DE= 4.55D-12 OVMax= 4.22D-08

 Cycle  43  Pass 1  IDiag  1:
 RMSU=  9.93D-07    CP:  1.00D+00 -5.42D-01
 E= -3570.52005552660     Delta-E=        0.000000000995 Rises=F Damp=F
 DIIS: error= 5.32D-08 at cycle  43 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 5.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.74D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.108D-02 0.393D-01 0.153D+00-0.632D-01-0.348D-01 0.183D+01
 Coeff-Com: -0.190D+01-0.377D+00 0.394D+00 0.328D+00 0.178D+00-0.718D-01
 Coeff-Com:  0.543D+00 0.770D-01-0.912D-01
 Coeff:     -0.108D-02 0.393D-01 0.153D+00-0.632D-01-0.348D-01 0.183D+01
 Coeff:     -0.190D+01-0.377D+00 0.394D+00 0.328D+00 0.178D+00-0.718D-01
 Coeff:      0.543D+00 0.770D-01-0.912D-01
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.37D-08 MaxDP=4.61D-06 DE= 9.95D-10 OVMax= 3.05D-09

 Cycle  44  Pass 1  IDiag  1:
 RMSU=  3.54D-09    CP:  1.00D+00 -6.64D-01  1.07D+00
 E= -3570.52005552771     Delta-E=       -0.000000001111 Rises=F Damp=F
 DIIS: error= 5.40D-08 at cycle  44 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 5.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.21D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.211D-02 0.419D-01 0.163D+00-0.673D-01-0.366D-01 0.181D+01
 Coeff-Com: -0.189D+01-0.366D+00 0.381D+00 0.346D+00 0.162D+00-0.924D-01
 Coeff-Com:  0.559D+00 0.120D+00-0.134D+00
 Coeff:     -0.211D-02 0.419D-01 0.163D+00-0.673D-01-0.366D-01 0.181D+01
 Coeff:     -0.189D+01-0.366D+00 0.381D+00 0.346D+00 0.162D+00-0.924D-01
 Coeff:      0.559D+00 0.120D+00-0.134D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.80D-08 MaxDP=4.89D-06 DE=-1.11D-09 OVMax= 3.23D-09

 Cycle  45  Pass 1  IDiag  1:
 RMSU=  6.29D-10    CP:  1.00D+00 -5.34D-01  9.96D-01  2.25D-01
 E= -3570.52005552718     Delta-E=        0.000000000532 Rises=F Damp=F
 DIIS: error= 5.33D-08 at cycle  45 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3570.52005553186     IErMin= 5 ErrMin= 1.37D-08
 ErrMax= 5.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.11D-13 BMatP= 5.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.43D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.191D-02 0.416D-01 0.162D+00-0.669D-01-0.365D-01 0.182D+01
 Coeff-Com: -0.189D+01-0.370D+00 0.385D+00 0.345D+00 0.163D+00-0.920D-01
 Coeff-Com:  0.560D+00-0.264D+00 0.249D+00
 Coeff:     -0.191D-02 0.416D-01 0.162D+00-0.669D-01-0.365D-01 0.182D+01
 Coeff:     -0.189D+01-0.370D+00 0.385D+00 0.345D+00 0.163D+00-0.920D-01
 Coeff:      0.560D+00-0.264D+00 0.249D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=9.71D-09 MaxDP=6.05D-07 DE= 5.32D-10 OVMax= 4.03D-10

 SCF Done:  E(RLC-PBE+HF-PBE) =  -3570.52005553     A.U. after   45 cycles
            NFock= 45  Conv=0.97D-08     -V/T= 2.0021
 KE= 3.563144299326D+03 PE=-1.401839624017D+04 EE= 4.109095788626D+03
 Leave Link  502 at Sat Jul 17 02:08:48 2021, MaxMem=  5637144576 cpu:          198194.9 elap:           24871.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   757
 NBasis=   769 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    757 NOA=   103 NOB=   103 NVA=   654 NVB=   654

 **** Warning!!: The largest alpha MO coefficient is  0.18130941D+03

 Leave Link  801 at Sat Jul 17 02:08:49 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12972 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.12D-12 8.33D-09 XBig12= 1.00D+00 3.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.12D-12 8.33D-09 XBig12= 4.06D-01 8.88D-02.
     11 vectors produced by pass  2 Test12= 1.12D-12 8.33D-09 XBig12= 1.42D-01 8.86D-02.
     11 vectors produced by pass  3 Test12= 1.12D-12 8.33D-09 XBig12= 2.77D-02 3.26D-02.
     11 vectors produced by pass  4 Test12= 1.12D-12 8.33D-09 XBig12= 8.94D-03 2.48D-02.
     11 vectors produced by pass  5 Test12= 1.12D-12 8.33D-09 XBig12= 1.55D-03 1.43D-02.
     11 vectors produced by pass  6 Test12= 1.12D-12 8.33D-09 XBig12= 2.49D-04 4.99D-03.
     11 vectors produced by pass  7 Test12= 1.12D-12 8.33D-09 XBig12= 3.62D-05 1.45D-03.
     11 vectors produced by pass  8 Test12= 1.12D-12 8.33D-09 XBig12= 5.66D-06 3.65D-04.
     11 vectors produced by pass  9 Test12= 1.12D-12 8.33D-09 XBig12= 6.71D-07 1.25D-04.
     11 vectors produced by pass 10 Test12= 1.12D-12 8.33D-09 XBig12= 4.22D-08 3.29D-05.
     11 vectors produced by pass 11 Test12= 1.12D-12 8.33D-09 XBig12= 3.34D-09 8.73D-06.
     11 vectors produced by pass 12 Test12= 1.12D-12 8.33D-09 XBig12= 5.77D-10 2.02D-06.
      9 vectors produced by pass 13 Test12= 1.12D-12 8.33D-09 XBig12= 8.12D-11 9.67D-07.
      8 vectors produced by pass 14 Test12= 1.12D-12 8.33D-09 XBig12= 1.92D-11 2.98D-07.
      7 vectors produced by pass 15 Test12= 1.12D-12 8.33D-09 XBig12= 1.45D-11 2.24D-07.
      7 vectors produced by pass 16 Test12= 1.12D-12 8.33D-09 XBig12= 2.10D-11 2.41D-07.
      6 vectors produced by pass 17 Test12= 1.12D-12 8.33D-09 XBig12= 7.93D-12 9.09D-08.
      6 vectors produced by pass 18 Test12= 1.12D-12 8.33D-09 XBig12= 4.23D-12 6.86D-08.
      6 vectors produced by pass 19 Test12= 1.12D-12 8.33D-09 XBig12= 3.19D-12 5.67D-08.
      6 vectors produced by pass 20 Test12= 1.12D-12 8.33D-09 XBig12= 4.61D-12 7.13D-08.
      6 vectors produced by pass 21 Test12= 1.12D-12 8.33D-09 XBig12= 3.33D-12 7.11D-08.
      6 vectors produced by pass 22 Test12= 1.12D-12 8.33D-09 XBig12= 3.42D-12 7.40D-08.
      6 vectors produced by pass 23 Test12= 1.12D-12 8.33D-09 XBig12= 2.16D-12 5.56D-08.
      6 vectors produced by pass 24 Test12= 1.12D-12 8.33D-09 XBig12= 1.84D-12 4.94D-08.
      5 vectors produced by pass 25 Test12= 1.12D-12 8.33D-09 XBig12= 1.55D-12 3.60D-08.
      5 vectors produced by pass 26 Test12= 1.12D-12 8.33D-09 XBig12= 2.24D-12 4.72D-08.
      5 vectors produced by pass 27 Test12= 1.12D-12 8.33D-09 XBig12= 1.62D-12 4.34D-08.
      5 vectors produced by pass 28 Test12= 1.12D-12 8.33D-09 XBig12= 2.36D-12 4.71D-08.
      5 vectors produced by pass 29 Test12= 1.12D-12 8.33D-09 XBig12= 1.81D-12 4.24D-08.
      5 vectors produced by pass 30 Test12= 1.12D-12 8.33D-09 XBig12= 2.59D-12 5.79D-08.
      5 vectors produced by pass 31 Test12= 1.12D-12 8.33D-09 XBig12= 1.34D-12 4.69D-08.
      5 vectors produced by pass 32 Test12= 1.12D-12 8.33D-09 XBig12= 2.13D-12 4.93D-08.
      5 vectors produced by pass 33 Test12= 1.12D-12 8.33D-09 XBig12= 1.12D-12 3.11D-08.
      5 vectors produced by pass 34 Test12= 1.12D-12 8.33D-09 XBig12= 9.11D-13 2.63D-08.
      5 vectors produced by pass 35 Test12= 1.12D-12 8.33D-09 XBig12= 1.34D-12 3.50D-08.
      5 vectors produced by pass 36 Test12= 1.12D-12 8.33D-09 XBig12= 8.50D-13 2.46D-08.
      5 vectors produced by pass 37 Test12= 1.12D-12 8.33D-09 XBig12= 2.16D-12 4.53D-08.
      5 vectors produced by pass 38 Test12= 1.12D-12 8.33D-09 XBig12= 9.35D-13 2.50D-08.
      5 vectors produced by pass 39 Test12= 1.12D-12 8.33D-09 XBig12= 1.61D-12 3.48D-08.
      5 vectors produced by pass 40 Test12= 1.12D-12 8.33D-09 XBig12= 1.45D-12 3.69D-08.
      5 vectors produced by pass 41 Test12= 1.12D-12 8.33D-09 XBig12= 1.36D-12 3.73D-08.
      5 vectors produced by pass 42 Test12= 1.12D-12 8.33D-09 XBig12= 1.54D-12 3.14D-08.
      4 vectors produced by pass 43 Test12= 1.12D-12 8.33D-09 XBig12= 9.49D-13 2.88D-08.
      4 vectors produced by pass 44 Test12= 1.12D-12 8.33D-09 XBig12= 1.35D-12 4.33D-08.
      4 vectors produced by pass 45 Test12= 1.12D-12 8.33D-09 XBig12= 1.87D-12 3.77D-08.
      4 vectors produced by pass 46 Test12= 1.12D-12 8.33D-09 XBig12= 1.10D-12 3.02D-08.
      4 vectors produced by pass 47 Test12= 1.12D-12 8.33D-09 XBig12= 1.31D-12 3.36D-08.
      4 vectors produced by pass 48 Test12= 1.12D-12 8.33D-09 XBig12= 1.32D-12 3.06D-08.
      3 vectors produced by pass 49 Test12= 1.12D-12 8.33D-09 XBig12= 8.80D-13 2.56D-08.
      2 vectors produced by pass 50 Test12= 1.12D-12 8.33D-09 XBig12= 5.78D-13 2.39D-08.
      2 vectors produced by pass 51 Test12= 1.12D-12 8.33D-09 XBig12= 2.33D-13 1.32D-08.
      1 vectors produced by pass 52 Test12= 1.12D-12 8.33D-09 XBig12= 2.40D-13 1.73D-08.
      1 vectors produced by pass 53 Test12= 1.12D-12 8.33D-09 XBig12= 2.47D-13 1.76D-08.
      1 vectors produced by pass 54 Test12= 1.12D-12 8.33D-09 XBig12= 3.05D-13 1.78D-08.
      1 vectors produced by pass 55 Test12= 1.12D-12 8.33D-09 XBig12= 2.47D-13 1.63D-08.
      1 vectors produced by pass 56 Test12= 1.12D-12 8.33D-09 XBig12= 2.21D-13 1.34D-08.
      1 vectors produced by pass 57 Test12= 1.12D-12 8.33D-09 XBig12= 1.73D-13 1.19D-08.
      1 vectors produced by pass 58 Test12= 1.12D-12 8.33D-09 XBig12= 1.31D-13 9.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   350 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.465511D+03
      2 -0.187879D+02  0.432123D+03
      3  0.482989D+02  0.433926D+02  0.251176D+03
 Isotropic polarizability for W=    0.085645      382.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.706702D+03  0.576985D+02 -0.335372D+03
      2   0.239887D+03  0.153136D+02 -0.197429D+02
      3   0.466815D+03 -0.730121D+02  0.355115D+03
      4   0.117316D+03 -0.382763D+03 -0.337894D+03
      5  -0.138487D+03 -0.216361D+03  0.594993D+02
      6  -0.320096D+03  0.112442D+03 -0.186032D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.212176D+03 -0.480933D+02  0.156837D+03
      2  -0.120712D+03 -0.833333D+02 -0.525051D+02
      3   0.151673D+03  0.725866D+03 -0.259471D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.121533D+03  0.132185D+03  0.113020D+03
      2  -0.196885D+03 -0.177981D+02 -0.407316D+03
      3   0.596173D+02  0.622651D+03 -0.103735D+03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.141019D+03  0.341137D+02 -0.555477D+02
      2   0.341137D+02 -0.280967D+02 -0.141423D+03
      3  -0.555477D+02 -0.141423D+03  0.384878D+02
 OR G Eigenvalues:  -157.9567  -136.8894   164.2184  Iso=    43.5426
 Eigenvectors:
   (1)   0.900979   0.188753   0.390652
   (2)  -0.380992   0.774965   0.504256
   (3)  -0.207562  -0.603159   0.770141
 w=    0.085645 a.u., Optical Rotation Beta=     43.5426 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     5070.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  296065 ScalPx= 7.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.46D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D+00 3.16D-01.
     30 vectors produced by pass  1 Test12= 1.87D-13 2.78D-09 XBig12= 3.02D-02 3.24D-02.
     30 vectors produced by pass  2 Test12= 1.87D-13 2.78D-09 XBig12= 6.66D-03 1.61D-02.
     30 vectors produced by pass  3 Test12= 1.87D-13 2.78D-09 XBig12= 2.80D-04 2.80D-03.
     30 vectors produced by pass  4 Test12= 1.87D-13 2.78D-09 XBig12= 2.41D-05 9.88D-04.
     30 vectors produced by pass  5 Test12= 1.87D-13 2.78D-09 XBig12= 8.51D-07 1.68D-04.
     30 vectors produced by pass  6 Test12= 1.87D-13 2.78D-09 XBig12= 3.20D-08 2.81D-05.
     30 vectors produced by pass  7 Test12= 1.87D-13 2.78D-09 XBig12= 2.25D-09 3.25D-06.
     30 vectors produced by pass  8 Test12= 1.87D-13 2.78D-09 XBig12= 5.15D-10 1.18D-06.
     30 vectors produced by pass  9 Test12= 1.87D-13 2.78D-09 XBig12= 1.02D-10 3.86D-07.
     24 vectors produced by pass 10 Test12= 1.87D-13 2.78D-09 XBig12= 2.52D-11 2.27D-07.
      4 vectors produced by pass 11 Test12= 1.87D-13 2.78D-09 XBig12= 6.84D-12 1.07D-07.
      4 vectors produced by pass 12 Test12= 1.87D-13 2.78D-09 XBig12= 4.67D-12 7.15D-08.
      4 vectors produced by pass 13 Test12= 1.87D-13 2.78D-09 XBig12= 9.61D-12 1.41D-07.
      3 vectors produced by pass 14 Test12= 1.87D-13 2.78D-09 XBig12= 5.10D-12 9.39D-08.
      3 vectors produced by pass 15 Test12= 1.87D-13 2.78D-09 XBig12= 1.66D-12 4.80D-08.
      3 vectors produced by pass 16 Test12= 1.87D-13 2.78D-09 XBig12= 1.20D-12 4.95D-08.
      3 vectors produced by pass 17 Test12= 1.87D-13 2.78D-09 XBig12= 1.12D-12 4.23D-08.
      3 vectors produced by pass 18 Test12= 1.87D-13 2.78D-09 XBig12= 1.26D-12 5.93D-08.
      3 vectors produced by pass 19 Test12= 1.87D-13 2.78D-09 XBig12= 9.36D-13 3.61D-08.
      3 vectors produced by pass 20 Test12= 1.87D-13 2.78D-09 XBig12= 9.13D-13 3.61D-08.
      3 vectors produced by pass 21 Test12= 1.87D-13 2.78D-09 XBig12= 1.17D-12 4.09D-08.
      1 vectors produced by pass 22 Test12= 1.87D-13 2.78D-09 XBig12= 1.15D-12 6.17D-08.
      1 vectors produced by pass 23 Test12= 1.87D-13 2.78D-09 XBig12= 2.26D-13 1.84D-08.
      1 vectors produced by pass 24 Test12= 1.87D-13 2.78D-09 XBig12= 1.76D-13 1.60D-08.
      1 vectors produced by pass 25 Test12= 1.87D-13 2.78D-09 XBig12= 1.50D-13 1.57D-08.
      1 vectors produced by pass 26 Test12= 1.87D-13 2.78D-09 XBig12= 1.74D-13 1.71D-08.
      1 vectors produced by pass 27 Test12= 1.87D-13 2.78D-09 XBig12= 2.39D-13 2.17D-08.
      1 vectors produced by pass 28 Test12= 1.87D-13 2.78D-09 XBig12= 1.38D-13 1.46D-08.
      1 vectors produced by pass 29 Test12= 1.87D-13 2.78D-09 XBig12= 1.80D-13 1.46D-08.
      1 vectors produced by pass 30 Test12= 1.87D-13 2.78D-09 XBig12= 1.36D-13 1.49D-08.
      1 vectors produced by pass 31 Test12= 1.87D-13 2.78D-09 XBig12= 1.51D-13 1.64D-08.
      1 vectors produced by pass 32 Test12= 1.87D-13 2.78D-09 XBig12= 1.15D-13 1.27D-08.
      1 vectors produced by pass 33 Test12= 1.87D-13 2.78D-09 XBig12= 8.23D-14 1.00D-08.
      1 vectors produced by pass 34 Test12= 1.87D-13 2.78D-09 XBig12= 7.83D-14 9.62D-09.
      1 vectors produced by pass 35 Test12= 1.87D-13 2.78D-09 XBig12= 7.29D-14 9.52D-09.
      1 vectors produced by pass 36 Test12= 1.87D-13 2.78D-09 XBig12= 1.08D-13 1.19D-08.
      1 vectors produced by pass 37 Test12= 1.87D-13 2.78D-09 XBig12= 9.88D-14 1.20D-08.
      1 vectors produced by pass 38 Test12= 1.87D-13 2.78D-09 XBig12= 1.22D-13 1.20D-08.
      1 vectors produced by pass 39 Test12= 1.87D-13 2.78D-09 XBig12= 1.06D-13 1.25D-08.
      1 vectors produced by pass 40 Test12= 1.87D-13 2.78D-09 XBig12= 1.19D-13 1.16D-08.
      1 vectors produced by pass 41 Test12= 1.87D-13 2.78D-09 XBig12= 9.72D-14 1.09D-08.
      1 vectors produced by pass 42 Test12= 1.87D-13 2.78D-09 XBig12= 8.45D-14 1.09D-08.
      1 vectors produced by pass 43 Test12= 1.87D-13 2.78D-09 XBig12= 8.36D-14 1.23D-08.
      1 vectors produced by pass 44 Test12= 1.87D-13 2.78D-09 XBig12= 7.07D-14 9.49D-09.
      1 vectors produced by pass 45 Test12= 1.87D-13 2.78D-09 XBig12= 6.41D-14 9.14D-09.
      1 vectors produced by pass 46 Test12= 1.87D-13 2.78D-09 XBig12= 7.25D-14 1.19D-08.
      1 vectors produced by pass 47 Test12= 1.87D-13 2.78D-09 XBig12= 6.07D-14 9.36D-09.
      1 vectors produced by pass 48 Test12= 1.87D-13 2.78D-09 XBig12= 7.66D-14 1.11D-08.
      1 vectors produced by pass 49 Test12= 1.87D-13 2.78D-09 XBig12= 7.97D-14 1.06D-08.
      1 vectors produced by pass 50 Test12= 1.87D-13 2.78D-09 XBig12= 7.69D-14 1.27D-08.
      1 vectors produced by pass 51 Test12= 1.87D-13 2.78D-09 XBig12= 1.04D-13 1.09D-08.
      1 vectors produced by pass 52 Test12= 1.87D-13 2.78D-09 XBig12= 7.24D-14 1.14D-08.
      1 vectors produced by pass 53 Test12= 1.87D-13 2.78D-09 XBig12= 5.88D-14 8.18D-09.
      1 vectors produced by pass 54 Test12= 1.87D-13 2.78D-09 XBig12= 5.48D-14 7.38D-09.
      1 vectors produced by pass 55 Test12= 1.87D-13 2.78D-09 XBig12= 5.98D-14 9.26D-09.
      1 vectors produced by pass 56 Test12= 1.87D-13 2.78D-09 XBig12= 4.84D-14 9.65D-09.
      1 vectors produced by pass 57 Test12= 1.87D-13 2.78D-09 XBig12= 4.06D-14 1.04D-08.
      1 vectors produced by pass 58 Test12= 1.87D-13 2.78D-09 XBig12= 4.71D-14 7.43D-09.
      1 vectors produced by pass 59 Test12= 1.87D-13 2.78D-09 XBig12= 3.72D-14 6.88D-09.
      1 vectors produced by pass 60 Test12= 1.87D-13 2.78D-09 XBig12= 3.32D-14 6.69D-09.
      1 vectors produced by pass 61 Test12= 1.87D-13 2.78D-09 XBig12= 3.02D-14 6.91D-09.
      1 vectors produced by pass 62 Test12= 1.87D-13 2.78D-09 XBig12= 3.20D-14 5.88D-09.
      1 vectors produced by pass 63 Test12= 1.87D-13 2.78D-09 XBig12= 3.29D-14 6.71D-09.
      1 vectors produced by pass 64 Test12= 1.87D-13 2.78D-09 XBig12= 2.89D-14 6.29D-09.
      1 vectors produced by pass 65 Test12= 1.87D-13 2.78D-09 XBig12= 3.32D-14 7.99D-09.
      1 vectors produced by pass 66 Test12= 1.87D-13 2.78D-09 XBig12= 2.42D-14 5.64D-09.
      1 vectors produced by pass 67 Test12= 1.87D-13 2.78D-09 XBig12= 2.89D-14 5.88D-09.
      1 vectors produced by pass 68 Test12= 1.87D-13 2.78D-09 XBig12= 2.37D-14 5.65D-09.
      1 vectors produced by pass 69 Test12= 1.87D-13 2.78D-09 XBig12= 3.08D-14 5.26D-09.
      1 vectors produced by pass 70 Test12= 1.87D-13 2.78D-09 XBig12= 2.74D-14 5.01D-09.
      1 vectors produced by pass 71 Test12= 1.87D-13 2.78D-09 XBig12= 2.60D-14 5.95D-09.
      1 vectors produced by pass 72 Test12= 1.87D-13 2.78D-09 XBig12= 3.17D-14 7.11D-09.
      1 vectors produced by pass 73 Test12= 1.87D-13 2.78D-09 XBig12= 3.20D-14 6.52D-09.
      1 vectors produced by pass 74 Test12= 1.87D-13 2.78D-09 XBig12= 2.77D-14 5.86D-09.
      1 vectors produced by pass 75 Test12= 1.87D-13 2.78D-09 XBig12= 2.66D-14 6.54D-09.
      1 vectors produced by pass 76 Test12= 1.87D-13 2.78D-09 XBig12= 2.13D-14 4.93D-09.
      1 vectors produced by pass 77 Test12= 1.87D-13 2.78D-09 XBig12= 2.14D-14 5.23D-09.
      1 vectors produced by pass 78 Test12= 1.87D-13 2.78D-09 XBig12= 1.86D-14 4.53D-09.
      1 vectors produced by pass 79 Test12= 1.87D-13 2.78D-09 XBig12= 3.24D-14 7.71D-09.
      1 vectors produced by pass 80 Test12= 1.87D-13 2.78D-09 XBig12= 2.06D-14 5.12D-09.
      1 vectors produced by pass 81 Test12= 1.87D-13 2.78D-09 XBig12= 1.96D-14 5.43D-09.
      1 vectors produced by pass 82 Test12= 1.87D-13 2.78D-09 XBig12= 1.79D-14 5.57D-09.
      1 vectors produced by pass 83 Test12= 1.87D-13 2.78D-09 XBig12= 2.10D-14 5.80D-09.
      1 vectors produced by pass 84 Test12= 1.87D-13 2.78D-09 XBig12= 1.68D-14 5.34D-09.
      1 vectors produced by pass 85 Test12= 1.87D-13 2.78D-09 XBig12= 1.43D-14 4.52D-09.
      1 vectors produced by pass 86 Test12= 1.87D-13 2.78D-09 XBig12= 1.81D-14 4.62D-09.
      1 vectors produced by pass 87 Test12= 1.87D-13 2.78D-09 XBig12= 1.63D-14 5.02D-09.
      1 vectors produced by pass 88 Test12= 1.87D-13 2.78D-09 XBig12= 1.61D-14 4.57D-09.
      1 vectors produced by pass 89 Test12= 1.87D-13 2.78D-09 XBig12= 1.55D-14 4.37D-09.
      1 vectors produced by pass 90 Test12= 1.87D-13 2.78D-09 XBig12= 1.62D-14 4.39D-09.
      1 vectors produced by pass 91 Test12= 1.87D-13 2.78D-09 XBig12= 1.52D-14 4.20D-09.
      1 vectors produced by pass 92 Test12= 1.87D-13 2.78D-09 XBig12= 1.38D-14 4.20D-09.
      1 vectors produced by pass 93 Test12= 1.87D-13 2.78D-09 XBig12= 1.35D-14 5.09D-09.
      1 vectors produced by pass 94 Test12= 1.87D-13 2.78D-09 XBig12= 1.12D-14 4.24D-09.
      1 vectors produced by pass 95 Test12= 1.87D-13 2.78D-09 XBig12= 1.12D-14 3.51D-09.
      1 vectors produced by pass 96 Test12= 1.87D-13 2.78D-09 XBig12= 9.90D-15 3.75D-09.
      1 vectors produced by pass 97 Test12= 1.87D-13 2.78D-09 XBig12= 1.16D-14 3.57D-09.
      1 vectors produced by pass 98 Test12= 1.87D-13 2.78D-09 XBig12= 1.03D-14 3.59D-09.
      1 vectors produced by pass 99 Test12= 1.87D-13 2.78D-09 XBig12= 9.74D-15 3.38D-09.
      1 vectors produced by pass100 Test12= 1.87D-13 2.78D-09 XBig12= 1.48D-14 4.78D-09.
      1 vectors produced by pass101 Test12= 1.87D-13 2.78D-09 XBig12= 1.08D-14 4.18D-09.
      1 vectors produced by pass102 Test12= 1.87D-13 2.78D-09 XBig12= 1.34D-14 4.20D-09.
      1 vectors produced by pass103 Test12= 1.87D-13 2.78D-09 XBig12= 9.09D-15 2.91D-09.
      1 vectors produced by pass104 Test12= 1.87D-13 2.78D-09 XBig12= 1.31D-14 4.82D-09.
      1 vectors produced by pass105 Test12= 1.87D-13 2.78D-09 XBig12= 1.21D-14 3.92D-09.
      1 vectors produced by pass106 Test12= 1.87D-13 2.78D-09 XBig12= 1.08D-14 2.94D-09.
      1 vectors produced by pass107 Test12= 1.87D-13 2.78D-09 XBig12= 1.03D-14 3.40D-09.
      1 vectors produced by pass108 Test12= 1.87D-13 2.78D-09 XBig12= 1.01D-14 3.75D-09.
      1 vectors produced by pass109 Test12= 1.87D-13 2.78D-09 XBig12= 9.05D-15 2.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   448 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.96D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.96D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.42D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.465511D+03 -0.187879D+02  0.482989D+02
      2  -0.187879D+02  0.432123D+03  0.433926D+02
      3   0.482989D+02  0.433926D+02  0.251176D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.212176D+03 -0.480933D+02  0.156837D+03
      2  -0.120712D+03 -0.833333D+02 -0.525051D+02
      3   0.151673D+03  0.725866D+03 -0.259471D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.706702D+03  0.576985D+02 -0.335372D+03
      2   0.239887D+03  0.153136D+02 -0.197429D+02
      3   0.466815D+03 -0.730121D+02  0.355115D+03
      4   0.117316D+03 -0.382763D+03 -0.337894D+03
      5  -0.138487D+03 -0.216361D+03  0.594993D+02
      6  -0.320096D+03  0.112442D+03 -0.186032D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.133058D+01  0.137097D+01 -0.493756D-01  0.726775D+00 -0.854649D+00
      2   0.137097D+01 -0.220172D+01  0.462226D+00 -0.854649D+00  0.198394D+01
      3  -0.493756D-01  0.462226D+00 -0.116912D+01 -0.500698D+00  0.201045D+00
                 6             7             8             9            10 
      1  -0.500698D+00 -0.229224D+00 -0.157015D+00 -0.523276D+00 -0.358829D+01
      2   0.201045D+00 -0.157015D+00 -0.301158D+00  0.784817D+00  0.368456D+00
      3   0.128752D+01 -0.523276D+00  0.784817D+00  0.363581D+00 -0.222988D+01
                11            12            13            14            15 
      1   0.368456D+00 -0.222988D+01 -0.219057D+01  0.711672D-01 -0.145895D+01
      2  -0.570376D+00 -0.146541D+01  0.711672D-01  0.163617D+01 -0.151276D+01
      3  -0.146541D+01 -0.749563D+01 -0.145895D+01 -0.151276D+01 -0.158123D+01
                16            17            18            19            20 
      1  -0.333160D+01  0.213835D+00 -0.504619D+01  0.451461D+01 -0.932021D+00
      2   0.213835D+00 -0.485493D+01  0.114428D+01 -0.932021D+00  0.362211D+01
      3  -0.504619D+01  0.114428D+01 -0.640481D+01  0.238657D+01 -0.375019D-01
                21            22            23            24            25 
      1   0.238657D+01  0.303929D+01  0.142646D+01  0.273240D+01  0.349771D+01
      2  -0.375019D-01  0.142646D+01  0.127956D+00  0.200901D+00 -0.142896D+01
      3  -0.360217D+00  0.273240D+01  0.200901D+00  0.658603D+00  0.373104D+01
                26            27            28            29            30 
      1  -0.142896D+01  0.373104D+01  0.830374D+00  0.271032D+00  0.144615D+01
      2   0.113075D+01 -0.222937D+01  0.271032D+00  0.141123D+00  0.611292D-01
      3  -0.222937D+01  0.109347D+02  0.144615D+01  0.611292D-01  0.183889D+01
                31            32            33            34            35 
      1   0.357136D+00  0.865302D+00  0.121711D+01  0.146521D+01  0.112028D+01
      2   0.865302D+00  0.207675D+01  0.295675D+01  0.112028D+01  0.192181D+01
      3   0.121711D+01  0.295675D+01  0.583563D+01  0.205078D+01  0.308715D+01
                36            37            38            39            40 
      1   0.205078D+01  0.503879D+01  0.736833D+00  0.194917D+01  0.697125D+01
      2   0.308715D+01  0.736833D+00  0.203269D+01  0.121718D+01 -0.162922D+01
      3   0.659847D+01  0.194917D+01  0.121718D+01  0.269292D+01  0.192212D+01
                41            42            43            44            45 
      1  -0.162922D+01  0.192212D+01  0.423971D+01 -0.388561D+01  0.509759D+01
      2   0.264013D+01 -0.303483D+00 -0.388561D+01  0.472255D+01 -0.362204D+01
      3  -0.303483D+00 -0.202785D+01  0.509759D+01 -0.362204D+01  0.985447D+01
                46            47            48            49            50 
      1   0.827300D+01 -0.154225D+01  0.633523D+01 -0.771488D+00  0.895180D+00
      2  -0.154225D+01  0.776166D+00 -0.145930D+01  0.895180D+00 -0.288904D+00
      3   0.633523D+01 -0.145930D+01  0.601285D+01  0.124537D+00  0.672297D+00
                51            52            53            54            55 
      1   0.124537D+00  0.571109D+01 -0.422315D+00  0.496733D+01 -0.337702D+00
      2   0.672297D+00 -0.422315D+00  0.390765D+00 -0.444206D+00  0.137820D+01
      3   0.985124D+00  0.496733D+01 -0.444206D+00  0.511727D+01 -0.287801D+01
                56            57            58            59            60 
      1   0.137820D+01 -0.287801D+01 -0.471048D+01  0.120106D+01 -0.556163D+01
      2  -0.247572D+01  0.185447D+01  0.120106D+01 -0.401073D+01  0.360807D+01
      3   0.185447D+01 -0.171908D+01 -0.556163D+01  0.360807D+01 -0.615723D+01
                61            62            63            64            65 
      1  -0.958887D+01  0.170864D+01 -0.514461D+01  0.537200D+01 -0.450421D+01
      2   0.170864D+01 -0.461816D+00  0.502815D+00 -0.450421D+01  0.455783D+01
      3  -0.514461D+01  0.502815D+00 -0.554173D+01  0.113675D+01 -0.118271D+01
                66            67            68            69            70 
      1   0.113675D+01 -0.486507D+01  0.477742D+01 -0.514798D+00  0.384092D+00
      2  -0.118271D+01  0.477742D+01 -0.581315D+01  0.796824D+00  0.963545D-01
      3   0.824124D+00 -0.514798D+00  0.796824D+00 -0.555815D+00  0.508512D+00
                71            72            73            74            75 
      1   0.963545D-01  0.508512D+00  0.122830D+02 -0.370531D+01  0.109798D+02
      2  -0.693159D+00 -0.614389D+00 -0.370531D+01  0.336715D+01 -0.195823D+01
      3  -0.614389D+00  0.901871D-01  0.109798D+02 -0.195823D+01  0.109179D+02
                76            77            78            79            80 
      1  -0.164725D+02  0.480078D+01 -0.184717D+02 -0.236606D+01  0.385979D+00
      2   0.480078D+01 -0.671876D+01  0.122060D+01  0.385979D+00  0.231320D+00
      3  -0.184717D+02  0.122060D+01 -0.210853D+02 -0.229532D+01 -0.160954D+01
                81            82            83            84            85 
      1  -0.229532D+01  0.167699D+02 -0.108477D+02  0.947882D+01  0.739111D+01
      2  -0.160954D+01 -0.108477D+02  0.190991D+02 -0.186496D+01 -0.262718D+01
      3  -0.509469D+01  0.947882D+01 -0.186496D+01  0.119840D+02  0.579817D+01
                86            87            88            89            90 
      1  -0.262718D+01  0.579817D+01  0.104303D+02 -0.668884D+01  0.126973D+02
      2  -0.129521D+01  0.127443D+01 -0.668884D+01  0.167641D+02 -0.559836D+01
      3   0.127443D+01  0.667095D+01  0.126973D+02 -0.559836D+01  0.135938D+02
                91            92            93            94            95 
      1  -0.220286D+02  0.547145D+01 -0.186508D+02  0.956134D+01 -0.988623D+00
      2   0.547145D+01 -0.666482D+01  0.233041D+01 -0.988623D+00  0.415534D+01
      3  -0.186508D+02  0.233041D+01 -0.186560D+02  0.124892D+02  0.292621D+00
                96            97            98            99           100 
      1   0.124892D+02 -0.367365D+01  0.240777D+01 -0.336501D+01  0.105254D+02
      2   0.292621D+00  0.240777D+01 -0.375347D+00  0.246078D+01  0.142004D+01
      3   0.146314D+02 -0.336501D+01  0.246078D+01 -0.299106D+01  0.949417D+01
               101           102           103           104           105 
      1   0.142004D+01  0.949417D+01  0.259994D+02 -0.226692D+02  0.156622D+02
      2  -0.476499D+01 -0.578646D+00 -0.226692D+02  0.424505D+02 -0.102812D+02
      3  -0.578646D+00  0.873709D+01  0.156622D+02 -0.102812D+02  0.103420D+02
               106           107           108           109           110 
      1   0.185519D+02 -0.103465D+02  0.135163D+02 -0.660479D+01 -0.396101D+01
      2  -0.103465D+02  0.187002D+02 -0.468951D+01 -0.396101D+01  0.747361D+01
      3   0.135163D+02 -0.468951D+01  0.117081D+02 -0.738155D+01  0.922738D+00
               111           112           113           114           115 
      1  -0.738155D+01 -0.287397D+02  0.262621D+02 -0.184910D+02 -0.147909D+02
      2   0.922738D+00  0.262621D+02 -0.496819D+02  0.133778D+02  0.971676D+01
      3  -0.533818D+01 -0.184910D+02  0.133778D+02 -0.121072D+02 -0.115880D+02
               116           117           118           119           120 
      1   0.971676D+01 -0.115880D+02 -0.210464D+02  0.188715D+02 -0.119349D+02
      2  -0.153901D+02  0.380335D+01  0.188715D+02 -0.347338D+02  0.934393D+01
      3   0.380335D+01 -0.102879D+02 -0.119349D+02  0.934393D+01 -0.908991D+01
               121           122           123           124           125 
      1   0.633981D+01 -0.118760D+02  0.427886D+01 -0.924719D+01  0.945716D+01
      2  -0.118760D+02  0.156613D+02 -0.479131D+01  0.945716D+01 -0.128085D+02
      3   0.427886D+01 -0.479131D+01  0.336965D+01 -0.640942D+01  0.217060D+01
               126           127           128           129           130 
      1  -0.640942D+01  0.204554D+02 -0.100731D+02  0.695937D+01  0.148068D+01
      2   0.217060D+01 -0.100731D+02  0.707310D+02 -0.672586D+01  0.143612D+02
      3  -0.113138D+02  0.695937D+01 -0.672586D+01  0.261479D+01 -0.748165D+00
               131           132           133           134           135 
      1   0.143612D+02 -0.748165D+00  0.644963D+01  0.194745D+01  0.127175D+01
      2   0.184262D+02  0.380671D+01  0.194745D+01  0.259565D+02 -0.599542D+00
      3   0.380671D+01  0.483602D-01  0.127175D+01 -0.599542D+00  0.367104D+00
               136           137           138           139           140 
      1  -0.205428D+02  0.704628D+01 -0.631907D+01 -0.190747D+01 -0.817287D+01
      2   0.704628D+01 -0.707615D+02  0.778684D+01 -0.817287D+01 -0.147784D+02
      3  -0.631907D+01  0.778684D+01 -0.185357D+01 -0.237636D+00 -0.122400D+01
               141           142           143           144           145 
      1  -0.237636D+00 -0.515148D+01  0.126694D+01 -0.431657D+01 -0.108362D+02
      2  -0.122400D+01  0.126694D+01 -0.244948D+02  0.197801D+01 -0.195145D+00
      3  -0.172361D+00 -0.431657D+01  0.197801D+01 -0.209925D+01 -0.486024D+01
               146           147           148           149           150 
      1  -0.195145D+00 -0.486024D+01  0.116563D+02  0.100176D+01  0.898900D+01
      2  -0.131519D+02  0.188875D-01  0.100176D+01  0.373608D+02 -0.273873D+01
      3   0.188875D-01 -0.500913D+01  0.898900D+01 -0.273873D+01  0.734419D+01
               151           152           153           154           155 
      1   0.293470D+01  0.229465D+01 -0.326154D+01  0.159881D+02 -0.391448D+01
      2   0.229465D+01  0.519056D+01 -0.264771D+00 -0.391448D+01  0.157756D+02
      3  -0.326154D+01 -0.264771D+00 -0.471500D+01  0.124525D+02 -0.264141D+01
               156           157           158           159           160 
      1   0.124525D+02 -0.137828D+02 -0.188940D+01 -0.605081D+01  0.382652D+01
      2  -0.264141D+01 -0.188940D+01 -0.223144D+02  0.299689D+01 -0.274671D+00
      3   0.103658D+02 -0.605081D+01  0.299689D+01 -0.457105D+01  0.257210D+01
               161           162           163           164           165 
      1  -0.274671D+00  0.257210D+01  0.348355D+02  0.197707D+02 -0.200464D+01
      2   0.293448D+01 -0.527200D+01  0.197707D+02  0.333123D+02 -0.100038D+01
      3  -0.527200D+01 -0.597252D+00 -0.200464D+01 -0.100038D+01  0.683081D+00
               166           167           168           169           170 
      1  -0.177325D+02 -0.164188D+02 -0.146087D+00 -0.433631D+01 -0.440752D+01
      2  -0.164188D+02 -0.511976D+02 -0.146456D+01 -0.440752D+01 -0.157270D+02
      3  -0.146087D+00 -0.146456D+01 -0.342123D+00  0.429088D+00 -0.804417D+00
               171           172           173           174           175 
      1   0.429088D+00 -0.305523D+02 -0.182281D+02  0.230194D+01  0.234607D+02
      2  -0.804417D+00 -0.182281D+02 -0.310708D+02  0.158520D+01  0.223424D+02
      3  -0.287063D+00  0.230194D+01  0.158520D+01  0.516530D+00 -0.509816D+00
               176           177           178           179           180 
      1   0.223424D+02 -0.509816D+00  0.464201D+01  0.476478D+01 -0.185043D+01
      2   0.623336D+02 -0.144564D+00  0.476478D+01  0.140267D+02  0.174321D+01
      3  -0.144564D+00  0.101208D+00 -0.185043D+01  0.174321D+01  0.850356D+00
               181           182           183           184           185 
      1   0.135413D+02  0.854384D+01 -0.638255D+00  0.231990D+02  0.249310D+01
      2   0.854384D+01  0.121890D+02 -0.183149D+01  0.249310D+01  0.283266D+02
      3  -0.638255D+00 -0.183149D+01 -0.852342D+00  0.312999D+01 -0.455834D+01
               186           187           188           189           190 
      1   0.312999D+01  0.970134D+01  0.123354D+01 -0.324981D+01 -0.490244D+01
      2  -0.455834D+01  0.123354D+01  0.656180D+01  0.290216D+01 -0.373312D+01
      3   0.232585D+01 -0.324981D+01  0.290216D+01  0.537263D+00  0.211430D+01
               191           192           193           194           195 
      1  -0.373312D+01  0.211430D+01 -0.236253D+02  0.320283D+01 -0.274562D+00
      2   0.349511D+01 -0.154630D+01  0.320283D+01 -0.403997D+02  0.542048D+01
      3  -0.154630D+01 -0.874086D+00 -0.274562D+00  0.542048D+01 -0.136665D+01
               196           197           198           199           200 
      1  -0.441186D+01  0.176304D+01 -0.482810D+01 -0.162424D+02 -0.122433D+02
      2   0.176304D+01 -0.737220D+01 -0.325700D+00 -0.122433D+02 -0.100038D+02
      3  -0.482810D+01 -0.325700D+00 -0.228190D+01  0.556259D-02  0.127000D+01
               201           202           203           204           205 
      1   0.556259D-02 -0.411784D+02 -0.919218D+01  0.990216D+01 -0.183733D+02
      2   0.127000D+01 -0.919218D+01 -0.116179D+02  0.229969D+00 -0.323153D+01
      3  -0.889231D-01  0.990216D+01  0.229969D+00 -0.215762D+01  0.318554D+01
               206           207           208           209           210 
      1  -0.323153D+01  0.318554D+01 -0.283651D+02 -0.153104D+02  0.467498D+01
      2  -0.547105D+01 -0.631154D+00 -0.153104D+02 -0.382416D+02 -0.102255D+01
      3  -0.631154D+00 -0.168417D+01  0.467498D+01 -0.102255D+01 -0.415968D+01
               211           212           213           214           215 
      1  -0.146074D+02 -0.168444D+02  0.251311D+01 -0.217615D+01 -0.270657D+01
      2  -0.168444D+02 -0.379549D+02 -0.621176D+00 -0.270657D+01 -0.970821D+01
      3   0.251311D+01 -0.621176D+00 -0.795231D+00 -0.444589D+01  0.172842D+01
               216           217           218           219           220 
      1  -0.444589D+01  0.429152D+02  0.149122D+02 -0.912731D+01 -0.609441D+01
      2   0.172842D+01  0.149122D+02  0.321249D+02  0.309637D+00 -0.627075D+00
      3   0.254611D+01 -0.912731D+01  0.309637D+00  0.440302D+01  0.204992D+01
               221           222           223           224           225 
      1  -0.627075D+00  0.204992D+01 -0.447111D+01 -0.530081D+00  0.302136D+01
      2   0.100719D+02 -0.141822D+01 -0.530081D+00 -0.816601D+00  0.547872D+01
      3  -0.141822D+01  0.204840D+00  0.302136D+01  0.547872D+01  0.186122D+01
               226           227           228           229           230 
      1  -0.101697D+02  0.198558D+01  0.469544D+01  0.461865D+02  0.126033D+02
      2   0.198558D+01  0.283263D+01  0.571573D-02  0.126033D+02  0.145745D+02
      3   0.469544D+01  0.571573D-02 -0.161449D+01 -0.111112D+02 -0.734995D+00
               231           232           233           234           235 
      1  -0.111112D+02  0.167219D+02  0.401128D+01 -0.450349D+01 -0.318318D+01
      2  -0.734995D+00  0.401128D+01  0.337489D+01  0.131609D+01 -0.544056D+01
      3   0.230980D+01 -0.450349D+01  0.131609D+01  0.240929D+01 -0.100744D+01
               236           237           238           239           240 
      1  -0.544056D+01 -0.100744D+01  0.399286D+01  0.319067D+01 -0.314456D+00
      2  -0.737055D+01  0.631639D+00  0.319067D+01  0.353713D+01 -0.242164D+01
      3   0.631639D+00  0.244444D+00 -0.314456D+00 -0.242164D+01  0.547367D+00
               241           242           243           244           245 
      1   0.417238D+01  0.267375D+01  0.166058D+01  0.128929D+02  0.395649D+01
      2   0.267375D+01 -0.164486D+00  0.249992D+01  0.395649D+01  0.898348D+01
      3   0.166058D+01  0.249992D+01  0.216392D+01 -0.184224D+01  0.621755D+00
               246           247           248           249           250 
      1  -0.184224D+01  0.709411D+01 -0.364987D+01 -0.597443D+01  0.144531D+01
      2   0.621755D+00 -0.364987D+01 -0.273575D+01 -0.432050D+00 -0.413016D+01
      3   0.303230D+01 -0.597443D+01 -0.432050D+00  0.152811D+01  0.242725D+01
               251           252           253           254           255 
      1  -0.413016D+01  0.242725D+01  0.217354D+02  0.362867D+01 -0.597201D+01
      2  -0.486892D+01  0.211186D+01  0.362867D+01  0.482828D+01  0.271476D+00
      3   0.211186D+01 -0.118507D+01 -0.597201D+01  0.271476D+00  0.171856D+01
               256           257           258           259           260 
      1  -0.708123D+01  0.168433D+01  0.205546D+01 -0.702223D+01 -0.119314D+01
      2   0.168433D+01  0.243541D+01 -0.367616D+00 -0.119314D+01  0.376991D+00
      3   0.205546D+01 -0.367616D+00  0.715898D+00  0.441367D+01  0.790992D+00
               261           262           263           264           265 
      1   0.441367D+01 -0.245505D+02 -0.127450D+00  0.844395D+01 -0.179330D+01
      2   0.790992D+00 -0.127450D+00 -0.377991D+01 -0.149881D+01 -0.474461D+00
      3  -0.225572D+01  0.844395D+01 -0.149881D+01 -0.359987D+01  0.175786D+01
               266           267           268           269           270 
      1  -0.474461D+00  0.175786D+01  0.272753D+01  0.118094D+01 -0.121783D+01
      2  -0.269387D+01  0.104251D+01  0.118094D+01  0.403744D+01 -0.230151D+01
      3   0.104251D+01 -0.127079D+01 -0.121783D+01 -0.230151D+01 -0.763219D+00
               271           272           273           274           275 
      1   0.344603D+01 -0.447556D+01  0.380203D-01 -0.305329D+01  0.468417D+01
      2  -0.447556D+01  0.679068D+01 -0.111340D+00  0.468417D+01 -0.934741D+01
      3   0.380203D-01 -0.111340D+00  0.848922D+00  0.816231D+00 -0.104556D+01
               276           277           278           279           280 
      1   0.816231D+00  0.869077D+00  0.444805D-01  0.820813D+00 -0.853161D+00
      2  -0.104556D+01  0.444805D-01 -0.141280D+01 -0.662513D+00 -0.615713D+00
      3  -0.374232D+00  0.820813D+00 -0.662513D+00 -0.440100D-01 -0.108129D+01
               281           282           283           284           285 
      1  -0.615713D+00 -0.108129D+01 -0.230958D+00 -0.124826D+01 -0.296855D+00
      2  -0.207001D+01 -0.707472D+00 -0.124826D+01 -0.104739D+02 -0.485098D+01
      3  -0.707472D+00 -0.136791D+01 -0.296855D+00 -0.485098D+01 -0.319429D+01
               286           287           288           289           290 
      1  -0.104296D+01 -0.122354D+01 -0.709273D+00 -0.126047D+02 -0.343466D+01
      2  -0.122354D+01 -0.554622D+01 -0.359632D+01 -0.343466D+01 -0.125371D+01
      3  -0.709273D+00 -0.359632D+01 -0.218782D+01 -0.510527D+01 -0.122318D+01
               291           292           293           294           295 
      1  -0.510527D+01 -0.158602D+01 -0.212170D+01 -0.105499D+01 -0.494408D+01
      2  -0.122318D+01 -0.212170D+01  0.124714D+00 -0.876688D+00 -0.135287D+01
      3  -0.302881D+01 -0.105499D+01 -0.876688D+00 -0.941655D+00 -0.218097D+01
               296           297           298           299           300 
      1  -0.135287D+01 -0.218097D+01 -0.148371D+01 -0.235714D+01 -0.105553D+01
      2  -0.115325D+01 -0.105401D+01 -0.235714D+01 -0.153647D+01 -0.169664D+01
      3  -0.105401D+01 -0.122781D+01 -0.105553D+01 -0.169664D+01 -0.101623D+01
               301           302           303           304           305 
      1  -0.241377D+01 -0.376541D+01 -0.207931D+01 -0.118291D+01 -0.282135D+01
      2  -0.376541D+01 -0.102151D+02 -0.488596D+01 -0.282135D+01 -0.475087D+01
      3  -0.207931D+01 -0.488596D+01 -0.319502D+01 -0.134898D+01 -0.266009D+01
               306           307           308           309           310 
      1  -0.134898D+01 -0.926398D+01  0.598005D+01  0.353003D+00  0.677291D+01
      2  -0.266009D+01  0.598005D+01 -0.335186D+01 -0.586380D-01 -0.522259D+01
      3  -0.227984D+01  0.353003D+00 -0.586380D-01 -0.706032D+00 -0.633480D+00
               311           312           313           314           315 
      1  -0.522259D+01 -0.633480D+00  0.805225D+00 -0.884577D+00 -0.507535D+00
      2   0.589481D+01  0.643578D+00 -0.884577D+00  0.117745D+01 -0.111783D+00
      3   0.643578D+00  0.550754D+00 -0.507535D+00 -0.111783D+00  0.243751D+00
               316           317           318           319           320 
      1  -0.159297D+02 -0.775209D+00 -0.333495D+01 -0.220831D+01 -0.145979D+01
      2  -0.775209D+00 -0.240176D+00 -0.173540D+00 -0.145979D+01 -0.151410D+01
      3  -0.333495D+01 -0.173540D+00 -0.155932D+01 -0.891877D+00 -0.464410D+00
               321           322           323           324           325 
      1  -0.891877D+00 -0.437891D+01 -0.509055D+00 -0.114580D+01 -0.682710D+01
      2  -0.464410D+00 -0.509055D+00  0.327617D+00  0.311508D+00  0.492874D+01
      3  -0.333715D+00 -0.114580D+01  0.311508D+00 -0.690386D+00  0.154401D+01
               326           327           328           329           330 
      1   0.492874D+01  0.154401D+01  0.354689D+01 -0.547028D+01 -0.148953D+01
      2  -0.598762D+01 -0.135198D+01 -0.547028D+01  0.662655D+01  0.164995D+01
      3  -0.135198D+01 -0.962765D+00 -0.148953D+01  0.164995D+01  0.116079D+01
               331           332           333           334           335 
      1   0.116583D+01 -0.191457D+01 -0.166811D+00  0.121207D+01  0.190207D+01
      2  -0.191457D+01  0.110149D+01  0.106916D+01  0.190207D+01  0.262224D+01
      3  -0.166811D+00  0.106916D+01  0.282311D+00  0.196814D+00  0.475390D+00
               336           337           338           339           340 
      1   0.196814D+00  0.520647D+00  0.313509D+00  0.199678D+00 -0.396761D+00
      2   0.475390D+00  0.313509D+00  0.142086D+02  0.389039D+01 -0.117355D+00
      3   0.284870D+00  0.199678D+00  0.389039D+01  0.186172D+01 -0.196121D+00
               341           342           343           344           345 
      1  -0.117355D+00 -0.196121D+00  0.146290D+01  0.192719D+01  0.386946D+00
      2   0.486724D+01  0.131621D+01  0.192719D+01  0.273815D+01  0.554755D+00
      3   0.131621D+01  0.964550D+00  0.386946D+00  0.554755D+00  0.433721D+00
               346           347           348           349           350 
      1   0.154827D+01  0.360074D+01  0.110969D+01  0.791374D+00  0.998811D+00
      2   0.360074D+01  0.117232D+02  0.302392D+01  0.998811D+00  0.391193D+01
      3   0.110969D+01  0.302392D+01  0.161453D+01  0.267358D+00  0.142424D+01
               351           352           353           354           355 
      1   0.267358D+00  0.105135D+02  0.504306D+01 -0.457475D+00  0.348258D+01
      2   0.142424D+01  0.504306D+01  0.323634D+01 -0.183027D+00  0.260103D+01
      3   0.808333D+00 -0.457475D+00 -0.183027D+00  0.840968D+00  0.287631D+00
               356           357           358           359           360 
      1   0.260103D+01  0.287631D+00  0.922930D-01  0.424735D+00  0.159360D+00
      2   0.239825D+01  0.147945D+00  0.424735D+00  0.595725D+00  0.228316D+00
      3   0.147945D+00  0.328690D+00  0.159360D+00  0.228316D+00  0.330509D+00
               361           362           363           364           365 
      1   0.102439D+02 -0.219548D+01 -0.174808D+01  0.273009D+01  0.559380D+01
      2  -0.219548D+01  0.131825D+01  0.170458D+00  0.559380D+01 -0.284655D+01
      3  -0.174808D+01  0.170458D+00  0.187045D+01 -0.766013D+00 -0.231440D+01
               366           367           368           369           370 
      1  -0.766013D+00  0.637025D+00  0.856822D+00  0.543619D+01 -0.160595D+01
      2  -0.231440D+01  0.856822D+00 -0.777084D+00 -0.132552D+01 -0.901504D+00
      3  -0.981800D+00  0.543619D+01 -0.132552D+01 -0.690639D+01  0.304746D+00
               371           372           373           374           375 
      1  -0.901504D+00  0.304746D+00 -0.101266D+01 -0.770522D+00  0.542548D+00
      2  -0.181631D+01  0.425532D+00 -0.770522D+00 -0.287614D+01 -0.102255D-02
      3   0.425532D+00 -0.343972D+00  0.542548D+00 -0.102255D-02 -0.121179D+01
               376           377           378 
      1  -0.146602D+00 -0.341734D+00  0.670019D-01
      2  -0.341734D+00 -0.115393D+01 -0.435891D+00
      3   0.670019D-01 -0.435891D+00 -0.786288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690655D+01 -0.120507D+02  0.232091D+01 -0.641679D+01  0.136008D+02
      2   0.662397D+01 -0.828825D+01  0.327100D+01 -0.455426D+01  0.774868D+01
      3  -0.450060D+01 -0.315164D+00  0.103850D+01  0.743623D+01 -0.601211D+01
                 6             7             8             9            10 
      1  -0.245529D+01  0.184396D+00  0.260721D+01  0.397331D+01 -0.161610D+02
      2  -0.834316D+00  0.594031D+00  0.240983D+00  0.268694D+01  0.777357D+01
      3   0.223219D+01 -0.276594D+01 -0.356364D+01 -0.341586D+01  0.279400D+02
                11            12            13            14            15 
      1   0.936198D+01 -0.350493D+02 -0.103964D+02  0.171796D+02 -0.142159D+02
      2   0.757329D+01 -0.549927D+01  0.425725D+01  0.702722D+01  0.395064D+01
      3  -0.188845D+02  0.411217D+02  0.228043D+02 -0.272599D+02  0.148024D+02
                16            17            18            19            20 
      1  -0.161125D+02 -0.584070D+01 -0.326226D+01  0.143721D+02  0.184762D+01
      2  -0.104638D+02  0.898533D+01  0.206675D+01  0.100982D+01 -0.475009D+01
      3   0.246377D+02 -0.120000D+02  0.233303D+02 -0.248131D+02  0.974758D+01
                21            22            23            24            25 
      1   0.172835D+02  0.145512D+02  0.102358D+02  0.475600D+00  0.858670D+01
      2   0.494477D+01 -0.224375D+01 -0.531900D+01 -0.526594D+01 -0.622275D+01
      3  -0.299236D+02 -0.147265D+02 -0.276379D+02 -0.576176D+01 -0.248548D+02
                26            27            28            29            30 
      1  -0.317054D+01  0.246346D+02  0.286989D+01 -0.175662D+01  0.244495D+01
      2   0.507780D+01  0.780903D+01  0.256134D+00 -0.156492D+01 -0.258639D-01
      3   0.189101D+02 -0.379411D+02 -0.389127D+01  0.221544D+01 -0.506874D+01
                31            32            33            34            35 
      1   0.418184D+01  0.135624D+02  0.166185D+02  0.757466D+01  0.159219D+02
      2  -0.438816D+00  0.187888D+01  0.732793D+01 -0.371414D+01  0.171232D+01
      3  -0.203987D+01 -0.827431D+01 -0.145545D+02 -0.339059D+01 -0.106031D+02
                36            37            38            39            40 
      1   0.186896D+02  0.167884D+02  0.679752D+01  0.672912D+01  0.935826D+01
      2   0.262381D+01 -0.713056D+01 -0.129403D+00 -0.123895D+00 -0.123932D+02
      3  -0.119579D+02 -0.297818D+02 -0.139519D+02 -0.145707D+02 -0.300802D+02
                41            42            43            44            45 
      1  -0.115482D+02  0.510346D+01  0.940343D+01 -0.332622D+01  0.299838D+02
      2  -0.138798D+01 -0.256354D+01  0.174364D+01 -0.429153D+01  0.125194D+02
      3   0.202294D+02 -0.146655D+02 -0.246753D+02  0.361738D+02 -0.274194D+02
                46            47            48            49            50 
      1   0.952076D+01  0.817034D+00  0.877737D+01  0.224547D+01  0.710024D+00
      2  -0.999599D+01  0.309560D+00 -0.993639D+00  0.396669D+01 -0.162489D+01
      3  -0.181390D+02 -0.681634D-01 -0.132595D+02  0.725034D+00 -0.104504D+01
                51            52            53            54            55 
      1   0.411152D+01  0.111911D+02  0.220452D+01  0.104613D+02 -0.213814D+02
      2   0.321884D+01 -0.826150D+01  0.691740D+00 -0.250390D+01 -0.118965D+02
      3  -0.248690D+01 -0.172636D+02 -0.260404D+01 -0.148686D+02  0.118648D+02
                56            57            58            59            60 
      1   0.185555D+02 -0.167974D+02 -0.222561D+02  0.565380D+01 -0.224619D+02
      2   0.165228D+02  0.225671D+01  0.821148D+00  0.106562D+02 -0.492373D+00
      3  -0.306118D+02  0.162048D+02  0.276127D+02 -0.144068D+02  0.256160D+02
                61            62            63            64            65 
      1  -0.272022D+02  0.290836D+02 -0.283317D+02 -0.555761D+01  0.515176D+01
      2  -0.391558D+01  0.884888D+01 -0.186050D+02 -0.821784D+01  0.591210D+01
      3   0.605725D+02 -0.521495D+02  0.410657D+02 -0.976873D+01  0.259656D+01
                66            67            68            69            70 
      1   0.626655D+00  0.705462D+01 -0.874710D+01 -0.331761D+01  0.605116D+00
      2   0.626361D+00  0.927905D+01 -0.901394D+01 -0.220775D+01 -0.143809D+01
      3  -0.754346D-01  0.945687D+01 -0.398106D+01  0.101854D+01 -0.140110D+00
                71            72            73            74            75 
      1  -0.239515D+01 -0.173428D+01  0.508313D+02 -0.283055D+02  0.532560D+02
      2  -0.557621D+00 -0.162915D+01  0.197384D+02 -0.899155D+01  0.193446D+02
      3   0.292119D+01  0.641598D+00 -0.942125D+02  0.621804D+02 -0.855709D+02
                76            77            78            79            80 
      1  -0.836281D+02 -0.279046D+02 -0.101950D+03 -0.295867D+01 -0.223113D+02
      2  -0.423583D+01 -0.258769D+02 -0.113078D+02 -0.534322D+01 -0.149150D+02
      3   0.144123D+03 -0.117280D+02  0.175555D+03  0.257877D+02  0.350731D+02
                81            82            83            84            85 
      1  -0.156721D+02  0.473683D+02 -0.951288D+01  0.524044D+02  0.194020D+02
      2  -0.125444D+02  0.220613D+02 -0.187559D+01  0.163219D+02  0.789424D+01
      3   0.374641D+02 -0.155326D+03  0.118156D+03 -0.943500D+02 -0.625080D+02
                86            87            88            89            90 
      1   0.234717D+02  0.263741D+02  0.650039D+02 -0.994618D+01  0.746450D+02
      2   0.172621D+02  0.970820D+01 -0.816358D+00  0.787220D+01  0.622132D+01
      3  -0.309880D+01 -0.647613D+02 -0.102644D+03  0.700965D+02 -0.130173D+03
                91            92            93            94            95 
      1  -0.506520D+02 -0.120722D+02 -0.579762D+02  0.361718D+02  0.315353D+01
      2   0.242051D+02 -0.204742D+02  0.160537D+02  0.427681D-01  0.397023D+01
      3   0.101079D+03 -0.398414D+02  0.966893D+02 -0.683677D+02  0.102761D+02
                96            97            98            99           100 
      1   0.428596D+02  0.172383D+01 -0.124433D+02 -0.928805D+00  0.155051D+02
      2  -0.441766D+01  0.393633D+01 -0.108335D+02 -0.451951D+01 -0.511620D+01
      3  -0.807318D+02 -0.127070D+01  0.308020D+02  0.467992D+01 -0.391033D+02
               101           102           103           104           105 
      1   0.718158D+01  0.197556D+02  0.674471D+02 -0.419190D+02  0.364205D+02
      2   0.135140D+02  0.398368D+00  0.124418D+02 -0.947497D+00  0.402872D+01
      3  -0.443837D+02 -0.430112D+02 -0.180337D+03  0.230784D+03 -0.897217D+02
               106           107           108           109           110 
      1   0.375715D+02 -0.454532D+01  0.286596D+02 -0.244537D+02 -0.217330D+02
      2  -0.159311D+02 -0.185112D+00 -0.165193D+02  0.187085D+01 -0.219366D+02
      3  -0.868991D+02  0.142525D+03 -0.626312D+02  0.658827D+02  0.522223D+02
               111           112           113           114           115 
      1  -0.245638D+02 -0.102492D+03  0.787150D+02 -0.607616D+02 -0.518198D+02
      2  -0.704599D+01 -0.223811D+02  0.282506D+02 -0.976388D+01 -0.291741D+02
      3   0.599075D+02  0.255780D+03 -0.370086D+03  0.152308D+03  0.123629D+03
               116           117           118           119           120 
      1   0.358632D+02 -0.391150D+02 -0.665094D+02  0.540589D+02 -0.468428D+02
      2   0.155906D+02 -0.115702D+02 -0.148641D+02  0.151484D+02 -0.700665D+01
      3  -0.125998D+03  0.803114D+02  0.197872D+03 -0.244766D+03  0.120408D+03
               121           122           123           124           125 
      1   0.302450D+02 -0.374976D+02  0.172454D+02 -0.370551D+02  0.203138D+02
      2   0.138942D+02 -0.203606D+02  0.626081D+01 -0.197634D+02  0.148030D+02
      3  -0.626509D+02  0.146358D+03 -0.385126D+02  0.756949D+02 -0.101762D+03
               126           127           128           129           130 
      1  -0.520672D+02  0.485137D+02 -0.801582D+02  0.187509D+02 -0.300912D+01
      2  -0.122221D+02  0.108609D+02 -0.396717D+02  0.584623D+01 -0.110589D+02
      3   0.587823D+02 -0.629672D+02  0.395205D+03 -0.355499D+02  0.811877D+02
               131           132           133           134           135 
      1  -0.201232D+02  0.122940D+01  0.603522D+01 -0.820115D+01 -0.593511D+01
      2  -0.183369D+02 -0.144411D+01 -0.201433D+02 -0.166824D+02 -0.682314D+01
      3   0.819525D+02  0.174041D+02  0.348295D+02  0.150700D+03  0.221260D+01
               136           137           138           139           140 
      1  -0.517594D+02  0.104330D+03 -0.227211D+02  0.740867D+01  0.195507D+02
      2  -0.115275D+02  0.765114D+02 -0.890482D+01  0.229681D+02  0.218608D+02
      3   0.692128D+02 -0.527313D+03  0.560222D+02 -0.722535D+02 -0.104493D+03
               141           142           143           144           145 
      1   0.334552D+00 -0.123926D+02  0.651514D+02 -0.321203D+01 -0.178844D+02
      2   0.558496D+01  0.631720D+00  0.330932D+02  0.157902D+00 -0.108142D+02
      3  -0.146057D+02 -0.125412D+02 -0.177839D+03  0.818751D+01  0.502446D+02
               146           147           148           149           150 
      1   0.500171D+01 -0.172765D+02  0.345118D+02 -0.723408D+02  0.290653D+02
      2   0.114869D+02  0.449248D+01 -0.854638D+01 -0.522217D+02 -0.398882D+01
      3  -0.843564D+02  0.231363D+02 -0.139067D+02  0.278536D+03 -0.394530D+02
               151           152           153           154           155 
      1  -0.133244D+02  0.107950D+02 -0.105617D+02  0.555720D+02 -0.219069D+02
      2   0.112350D+02 -0.672674D+01  0.975400D+01  0.213355D+02 -0.225036D+02
      3   0.323761D+01  0.468676D+02  0.114448D+02 -0.120543D+03  0.129712D+03
               156           157           158           159           160 
      1   0.430994D+02 -0.223455D+02  0.337022D+02 -0.221837D+02  0.822346D+01
      2   0.742296D+01 -0.178552D+01  0.115161D+02  0.139746D+01 -0.665807D+01
      3  -0.824521D+02  0.382130D+02 -0.145004D+03  0.377557D+02 -0.483950D+02
               161           162           163           164           165 
      1  -0.884798D+01  0.911021D+01 -0.121733D+02 -0.471276D+02  0.272418D+01
      2   0.291402D+02  0.100010D+02 -0.127896D+02 -0.164842D+02 -0.819508D+00
      3   0.202175D+02 -0.569184D+02  0.151238D+03  0.190067D+03 -0.356514D+01
               166           167           168           169           170 
      1  -0.345792D+01  0.415367D+02 -0.189068D-01 -0.938058D+01  0.416775D+02
      2   0.208990D+02  0.271173D+02  0.201905D+01 -0.198443D+02  0.148789D+02
      3  -0.132101D+03 -0.251138D+03 -0.129548D+02 -0.378614D+01 -0.969897D+02
               171           172           173           174           175 
      1  -0.714227D+01  0.256538D+02  0.504118D+02  0.103606D+01  0.280481D+00
      2   0.210978D+01  0.453236D+02  0.314716D+02 -0.485277D+00 -0.153304D+02
      3   0.117063D+01 -0.242299D+03 -0.243403D+03  0.795671D+01  0.179972D+03
               176           177           178           179           180 
      1  -0.752755D+02  0.756746D+01  0.134563D+02  0.527428D-01  0.255959D+01
      2  -0.594644D+02 -0.383606D+00 -0.121552D+02 -0.282417D+02 -0.603929D+01
      3   0.426179D+03 -0.208684D+01  0.138263D+02  0.106513D+03  0.407868D+00
               181           182           183           184           185 
      1  -0.205996D+02 -0.288557D+02  0.954775D+00 -0.453871D+00 -0.465929D+02
      2  -0.277915D+02 -0.114862D+02  0.366262D+01 -0.193290D+02 -0.215470D+02
      3   0.135399D+03  0.112260D+03 -0.111122D+02  0.796464D+02  0.215564D+03
               186           187           188           189           190 
      1   0.435415D+00  0.159691D+02 -0.495978D+01 -0.249261D+01  0.100964D+02
      2  -0.651327D+01 -0.118624D+01 -0.419429D+02 -0.813749D+01  0.458196D+01
      3  -0.229336D+02  0.287002D+02  0.592593D+02  0.138643D+02 -0.513082D+02
               191           192           193           194           195 
      1  -0.108381D+02  0.393098D+01 -0.276831D+02  0.558262D+02 -0.868483D+01
      2  -0.753239D+01  0.883951D+01 -0.119537D+02  0.457343D+02 -0.167005D+01
      3   0.367894D+02 -0.125063D+02 -0.444831D+01 -0.315176D+03  0.419173D+02
               196           197           198           199           200 
      1   0.207222D+00  0.369770D+02  0.489608D+01  0.356846D+01  0.172730D+02
      2   0.194215D+02  0.217892D+02  0.103995D+02 -0.766170D+01 -0.538145D+01
      3  -0.761447D+01 -0.481624D+02 -0.113865D+02 -0.477896D+02 -0.430076D+02
               201           202           203           204           205 
      1   0.954759D+00  0.534903D+01  0.166315D+02 -0.295320D+01 -0.118585D+00
      2  -0.107610D+01  0.177650D+02  0.163500D+01 -0.301283D+01 -0.663414D+01
      3  -0.132731D+01 -0.212036D+03 -0.670014D+02  0.507115D+02 -0.950085D+02
               206           207           208           209           210 
      1   0.241371D+02  0.330892D+01  0.491918D+01  0.448996D+02  0.883604D+01
      2  -0.115954D+01  0.380987D+01  0.268888D+02  0.361497D+02  0.328861D+01
      3  -0.623691D+02  0.195474D+02 -0.212581D+03 -0.253458D+03  0.243991D+02
               211           212           213           214           215 
      1  -0.750525D+01  0.416044D+02 -0.453739D+01  0.300459D+02  0.173252D+02
      2   0.148634D+02  0.469817D+02 -0.623168D+00  0.508929D+00 -0.435556D+01
      3  -0.125848D+03 -0.282829D+03  0.118613D+02 -0.285948D+02 -0.604786D+02
               216           217           218           219           220 
      1  -0.690654D+01 -0.709777D+01 -0.444309D+02 -0.426262D+01  0.616564D+01
      2  -0.101486D+01 -0.401519D+02 -0.205248D+02  0.412002D+01  0.107288D+02
      3  -0.181460D+02  0.313498D+03  0.191565D+03 -0.581957D+02 -0.398242D+02
               221           222           223           224           225 
      1   0.546233D+01 -0.678979D+01 -0.113419D+02 -0.204711D+02 -0.107346D+02
      2  -0.804421D+01 -0.368383D+01 -0.199101D+02 -0.164436D+02 -0.722211D+01
      3   0.563937D+02  0.129478D+02 -0.354175D+02  0.959917D+01  0.424425D+02
               226           227           228           229           230 
      1   0.257410D+01 -0.264677D+01 -0.163101D+01  0.299767D+01 -0.306805D+02
      2  -0.222164D+01 -0.190113D+02 -0.348418D+01 -0.360139D+02 -0.481391D+01
      3  -0.564945D+02  0.849934D+02  0.222752D+02  0.339218D+03  0.107276D+03
               231           232           233           234           235 
      1   0.573075D+01 -0.386246D+01 -0.192053D+01 -0.324878D+01 -0.345956D+01
      2   0.999911D+01 -0.345657D+02 -0.748920D+01  0.747824D+01  0.948802D+01
      3  -0.848736D+02  0.112496D+03  0.305650D+02 -0.279658D+02 -0.485954D+02
               236           237           238           239           240 
      1   0.519011D+01  0.113759D+01  0.646186D+00  0.208925D+01 -0.344726D+01
      2   0.194554D+02 -0.265718D+01  0.160740D+01 -0.377545D+01  0.148221D+01
      3  -0.938704D+02  0.780957D+01  0.303771D+02  0.839134D+01 -0.326330D+01
               241           242           243           244           245 
      1  -0.106191D+02 -0.984009D+01 -0.798839D+01 -0.862806D+00 -0.841087D+01
      2  -0.198455D+02  0.260021D+01  0.106495D+02 -0.557304D+01 -0.792255D+01
      3   0.301089D+02  0.335782D+02 -0.357199D+00  0.707396D+02  0.415724D+02
               246           247           248           249           250 
      1  -0.872104D+01  0.151963D+02  0.300414D+01 -0.229694D+01 -0.138993D+02
      2   0.834245D+01 -0.756398D+00 -0.605040D+00 -0.431925D+01  0.640059D+01
      3  -0.908477D+01  0.125840D+02 -0.276100D+02 -0.108832D+02  0.480658D+00
               251           252           253           254           255 
      1   0.539596D+01  0.773081D+01  0.887366D+01  0.370028D+01 -0.566090D+01
      2   0.105278D+02 -0.553433D+01 -0.271255D+02 -0.437905D+01  0.174184D+01
      3  -0.262260D+02  0.181462D+02  0.160521D+03  0.401149D+02 -0.566214D+02
               256           257           258           259           260 
      1   0.448937D+01 -0.109499D+02 -0.407581D+01 -0.114274D+02  0.816302D+01
      2  -0.370948D+01  0.154416D+01  0.927088D+01 -0.122526D+02 -0.333255D+01
      3  -0.390910D+01  0.115666D+02 -0.119619D+02 -0.305550D+02 -0.192197D+02
               261           262           263           264           265 
      1   0.103023D+02 -0.880255D+01  0.184816D+01  0.458156D+01 -0.603385D+01
      2   0.795568D+01  0.127403D+02  0.103367D+02  0.412554D+00  0.609786D+01
      3   0.166315D+02 -0.145820D+03 -0.407552D+02  0.485625D+02 -0.904002D+01
               266           267           268           269           270 
      1  -0.367147D+01 -0.355561D+00  0.274679D+01  0.597617D+01  0.393338D+01
      2   0.241515D+00 -0.409295D+01 -0.109292D+02 -0.493257D+01 -0.287059D+01
      3   0.190383D+02  0.106801D+02 -0.527673D+01 -0.822814D+01  0.107037D+02
               271           272           273           274           275 
      1   0.211574D+01 -0.239291D+01  0.614756D+01  0.333630D+01 -0.355953D+01
      2   0.127824D+01 -0.120256D+01  0.297587D+01 -0.431968D+00  0.142701D+01
      3  -0.186913D+02  0.184586D+02 -0.236747D+01  0.169568D+02 -0.223545D+02
               276           277           278           279           280 
      1  -0.268612D+01  0.270539D+01  0.500615D+00  0.966527D-01 -0.535327D+01
      2  -0.110167D+01  0.102806D+01  0.281814D+00  0.410616D+00 -0.149135D+01
      3  -0.572090D+01 -0.949792D+01  0.202570D+01 -0.632523D+01  0.670802D+01
               281           282           283           284           285 
      1  -0.941642D+00 -0.697019D+01 -0.756484D+00 -0.120807D+02 -0.129800D+02
      2   0.616495D+00 -0.325551D+00 -0.116635D+01  0.161931D+01  0.212118D+01
      3  -0.466145D+01  0.680651D+01  0.903797D+00 -0.327166D+01 -0.330395D+01
               286           287           288           289           290 
      1  -0.121642D+01 -0.861892D+01 -0.636755D+01 -0.872112D+01  0.357934D+00
      2  -0.203735D+01  0.521033D+00  0.120916D+01  0.181748D+01  0.954235D+00
      3   0.771271D+01  0.165797D+01 -0.403975D-01  0.126472D+02 -0.215821D+01
               291           292           293           294           295 
      1  -0.601655D+01  0.393950D-01 -0.232608D+01 -0.156925D+01 -0.164719D+01
      2   0.795730D+01  0.369454D+01 -0.151859D+01  0.288218D+01 -0.174514D+01
      3   0.577957D+01 -0.598546D+01  0.101033D+02 -0.110761D+01  0.560211D+01
               296           297           298           299           300 
      1  -0.126731D+01 -0.598550D+00  0.602328D+00 -0.356682D+01 -0.925537D+00
      2   0.120187D+01  0.256524D+01  0.294309D+01  0.178369D+01  0.369196D+01
      3  -0.163091D+01 -0.108862D+01 -0.664929D+01  0.339441D+01 -0.545449D+01
               301           302           303           304           305 
      1  -0.144709D+01  0.396186D+00 -0.575745D+01  0.998056D+00  0.195692D+01
      2   0.159743D+01  0.129847D+02  0.854645D+01  0.212034D+01  0.225313D+01
      3  -0.188080D+01 -0.292597D+02 -0.122543D+02 -0.641111D+01 -0.800147D+01
               306           307           308           309           310 
      1  -0.352244D+01 -0.366931D+01  0.447131D+00  0.291667D+01  0.361120D+01
      2   0.488001D+01 -0.402306D+01 -0.226341D+00  0.488686D+01  0.377656D+01
      3  -0.503792D+01  0.134487D+02 -0.554311D+01  0.351658D+00 -0.916349D+01
               311           312           313           314           315 
      1  -0.507614D+01 -0.363129D+01 -0.205028D+00  0.107136D+01 -0.396283D+00
      2  -0.699365D+01 -0.472011D+01 -0.603906D+00  0.249612D+01 -0.663736D+00
      3   0.241439D+02  0.300505D+01 -0.179482D+01  0.589521D+01 -0.272800D+01
               316           317           318           319           320 
      1   0.130717D+01  0.631360D+00  0.319043D+00  0.809766D+00  0.329926D+01
      2   0.749284D+01  0.216579D-01  0.922379D+01  0.393730D+01  0.446639D+01
      3  -0.165437D+02 -0.315588D+01 -0.440213D+01 -0.769514D+01 -0.141116D+02
               321           322           323           324           325 
      1  -0.211523D-01 -0.266724D-01 -0.157685D+00 -0.648965D+00 -0.180812D+01
      2   0.246351D+01 -0.502848D+00 -0.185151D+01  0.195892D+01  0.254772D+01
      3  -0.339965D+01 -0.631572D+01 -0.163919D+01  0.188221D+01 -0.172119D+02
               326           327           328           329           330 
      1   0.276835D+01  0.440087D+01  0.424259D+01 -0.109762D+01 -0.521007D+01
      2   0.642652D+00  0.358183D+01  0.179394D+01  0.318583D+00 -0.331298D+01
      3  -0.303836D+01  0.185100D+01 -0.101465D+01 -0.453002D+01 -0.163101D+01
               331           332           333           334           335 
      1  -0.306414D+01 -0.102738D+01 -0.128083D+01 -0.120582D+01 -0.146538D+01
      2  -0.162742D+01  0.274294D-01 -0.134351D+01 -0.292813D+01 -0.260769D+01
      3  -0.137586D+01 -0.703406D+01  0.426864D+01  0.146474D+02  0.136302D+02
               336           337           338           339           340 
      1  -0.138750D+01 -0.121932D+01 -0.842173D+01 -0.921879D+01  0.286771D+01
      2   0.173813D+00 -0.173054D+01 -0.750758D+01 -0.259791D+01  0.985669D+00
      3   0.637854D+00  0.558262D+01  0.278646D+02  0.946746D+01 -0.327098D+01
               341           342           343           344           345 
      1   0.267407D+01 -0.299221D+01 -0.131001D+01 -0.102105D+01 -0.177640D+01
      2  -0.702474D+00 -0.327560D+00  0.989275D+00  0.147748D+00  0.736058D+00
      3   0.658306D+01  0.738811D-01  0.314187D+00  0.161277D+01  0.181021D+01
               346           347           348           349           350 
      1  -0.302179D+01 -0.755877D+01 -0.880002D+01 -0.587228D+00 -0.141683D+01
      2   0.477344D-01  0.365645D+01  0.285771D+01 -0.613037D+00  0.379554D+00
      3   0.493386D+01 -0.688421D+00  0.569919D+00  0.356359D+01 -0.267308D+01
               351           352           353           354           355 
      1  -0.294927D+01 -0.533959D+00 -0.439876D+00 -0.334731D+01 -0.257052D+01
      2   0.666104D+00 -0.136436D+01 -0.492898D+00  0.501717D+01  0.248460D+01
      3  -0.154764D+00  0.310412D+02  0.836553D+01 -0.197310D+01  0.669727D+01
               356           357           358           359           360 
      1  -0.129185D+01 -0.120263D+01  0.112031D+01  0.205160D+00 -0.840302D+00
      2   0.101960D+01  0.129993D+01 -0.151502D+01 -0.106999D+01  0.875087D+00
      3   0.278487D+01  0.224019D+01 -0.441178D+01  0.925779D+00 -0.118027D-02
               361           362           363           364           365 
      1   0.200332D+01 -0.527736D+01 -0.777419D+00  0.485435D+00  0.103273D+02
      2   0.728722D+01  0.297849D+01  0.144993D+02 -0.334333D+01 -0.505631D+01
      3   0.120126D+01 -0.346066D+02  0.432692D+01  0.189560D+02  0.395328D+02
               366           367           368           369           370 
      1  -0.613512D+01 -0.855318D+01  0.135548D+02  0.816835D+01 -0.608039D-02
      2  -0.605056D+01 -0.202441D+01 -0.685752D+01 -0.121949D+02 -0.228605D+01
      3  -0.321290D+01  0.155234D+02  0.153562D+02  0.185013D+02  0.918144D+00
               371           372           373           374           375 
      1   0.427926D+01 -0.685129D+00  0.320947D+00  0.724435D+01 -0.144462D+01
      2  -0.239357D+01 -0.924173D-01 -0.345544D+01 -0.450179D+01 -0.514577D-01
      3   0.126969D+01  0.166361D+01  0.940683D+01  0.146407D+02 -0.111582D+01
               376           377           378 
      1   0.120780D+01  0.512109D+01 -0.539611D+00
      2  -0.152666D+01 -0.106112D+01 -0.657617D+00
      3  -0.223140D+01  0.292677D+01  0.279667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.271940D+01 -0.374299D+01  0.302764D+01  0.159521D+01 -0.305815D+00
      2  -0.241152D+01  0.218008D+01  0.360488D+01  0.200386D+01 -0.156322D+01
      3  -0.307886D+00  0.156291D+01 -0.663252D+01 -0.359907D+01  0.186904D+01
      4   0.374019D+00 -0.914219D+00  0.725690D+00  0.227727D+00 -0.163971D+00
      5  -0.789035D+01  0.793443D+01  0.336621D+01  0.721117D+01 -0.860204D+01
      6   0.358623D+01 -0.558911D+01 -0.512991D+00 -0.274350D+01  0.667002D+01
                 6             7             8             9            10 
      1  -0.389147D+01  0.170569D+01 -0.354437D+01 -0.465707D+00 -0.101092D+02
      2  -0.507543D+01  0.123730D+01 -0.163449D+01 -0.220490D+01  0.143681D+02
      3   0.896689D+01 -0.294299D+01  0.517885D+01  0.267061D+01 -0.425889D+01
      4   0.729522D+00  0.164901D+01  0.564344D+00  0.125359D+00  0.188533D+02
      5  -0.482200D+01  0.238030D+01 -0.113470D+01 -0.450082D+01 -0.250764D+02
      6   0.339948D+01 -0.671049D+00  0.283338D+01  0.403390D+01  0.106956D+02
                11            12            13            14            15 
      1   0.107176D+02  0.137591D+02 -0.115148D+02  0.530336D+01 -0.853058D+01
      2   0.204547D+01  0.351346D+02  0.159652D+02 -0.316121D+01  0.148457D+02
      3  -0.127631D+02 -0.488937D+02 -0.445039D+01 -0.214215D+01 -0.631513D+01
      4   0.189370D+01  0.547643D+01  0.727307D+01  0.158269D+02  0.705704D+01
      5   0.610737D+01  0.370344D+01 -0.152101D+02  0.168212D+01 -0.114769D+01
      6  -0.515613D+01  0.156621D+02  0.126258D+02  0.495947D+01  0.133483D+02
                16            17            18            19            20 
      1  -0.831778D+01  0.351792D+01 -0.230452D+01  0.172763D+02 -0.150213D+02
      2   0.317581D+02 -0.654814D+01  0.269703D+02 -0.151514D+02  0.717068D+01
      3  -0.234403D+02  0.303022D+01 -0.246658D+02 -0.212494D+01  0.785059D+01
      4   0.113162D+02 -0.407689D+00  0.238021D+02 -0.215992D+02  0.704018D+01
      5  -0.133525D+02  0.176947D+02 -0.262729D+02  0.222224D+02 -0.208299D+02
      6   0.226576D+02 -0.117047D+02  0.203580D+02 -0.173534D+02  0.143805D+02
                21            22            23            24            25 
      1   0.170867D+02 -0.728748D+00  0.187137D+02  0.117952D+02  0.354090D+01
      2   0.429705D+01 -0.180684D+02 -0.101613D+02 -0.827360D+01 -0.201560D+02
      3  -0.213837D+02  0.187971D+02 -0.855240D+01 -0.352155D+01  0.166151D+02
      4  -0.159863D+02  0.101791D+02 -0.314348D+01 -0.143894D+01 -0.157296D+02
      5   0.284674D+01  0.143846D+02  0.104273D+02  0.183939D+02  0.230990D+02
      6   0.154219D+01  0.416873D+01 -0.970591D+01 -0.786351D+01 -0.207299D+02
                26            27            28            29            30 
      1   0.204030D+01 -0.253465D+02 -0.169840D+01  0.447642D+00 -0.327349D+01
      2   0.131437D+02 -0.458206D+02 -0.815553D+01 -0.154344D+01 -0.105997D+02
      3  -0.151840D+02  0.711672D+02  0.985393D+01  0.109579D+01  0.138732D+02
      4  -0.170389D+01 -0.172316D+02  0.537493D+00  0.283340D+01  0.873496D+00
      5  -0.176768D+02  0.997628D+01  0.687689D+01  0.358733D+01  0.131417D+02
      6   0.397004D+01 -0.456610D+02  0.117551D+01  0.187714D+01 -0.167173D+01
                31            32            33            34            35 
      1  -0.383212D+01 -0.124445D+02 -0.242370D+02 -0.507449D+01 -0.109713D+02
      2  -0.664093D+01 -0.120484D+02 -0.280210D+02 -0.112319D+02 -0.146860D+02
      3   0.104730D+02  0.244929D+02  0.522580D+02  0.163064D+02  0.256573D+02
      4   0.439975D+01  0.703661D+01  0.928857D+01  0.399864D+01  0.567813D+01
      5   0.573798D+01  0.609637D+01  0.968288D+01  0.116605D+02  0.861155D+01
      6   0.668499D+01  0.159448D+02  0.205200D+02  0.680250D+01  0.124264D+02
                36            37            38            39            40 
      1  -0.258277D+02  0.198753D+01  0.963027D+01 -0.773940D+01  0.302466D+02
      2  -0.345338D+02 -0.635694D+01 -0.195185D+02 -0.103460D+02 -0.177395D+02
      3   0.603615D+02  0.436941D+01  0.988819D+01  0.180854D+02 -0.125071D+02
      4   0.996673D+01 -0.159527D+01  0.844432D+01  0.486078D+01 -0.310364D+02
      5   0.187129D+02 -0.300500D+01  0.130314D+02 -0.136755D+01  0.189833D+02
      6   0.211735D+02  0.678990D+01 -0.992233D+00  0.659430D+01 -0.200986D+02
                41            42            43            44            45 
      1  -0.171229D+02  0.159291D+02 -0.219119D+02  0.404977D+01 -0.476958D+02
      2   0.693355D+01  0.150579D+02  0.154164D+01  0.365648D+01 -0.144197D+02
      3   0.101894D+02 -0.309870D+02  0.203702D+02 -0.770625D+01  0.621155D+02
      4   0.942071D+01 -0.147080D+02 -0.309040D+02  0.216792D+02 -0.240758D+02
      5  -0.196673D+02 -0.500290D+01  0.541753D+01 -0.221283D+02  0.144277D+02
      6   0.167427D+02  0.705492D+01 -0.366955D+02  0.392912D+02 -0.496312D+02
                46            47            48            49            50 
      1   0.257062D+02 -0.133462D+01  0.930040D+01 -0.437242D+01  0.110196D+01
      2  -0.470640D+02  0.670813D+01 -0.386301D+02 -0.210126D+01 -0.253716D+01
      3   0.213578D+02 -0.537352D+01  0.293297D+02  0.647369D+01  0.143520D+01
      4  -0.264472D+02  0.100318D+02 -0.202747D+02  0.967950D+01 -0.359204D+01
      5   0.674347D+02 -0.123947D+02  0.566918D+02 -0.226819D+01  0.690221D+01
      6  -0.266393D+02  0.110300D+02 -0.258493D+02  0.716142D+01 -0.360024D+01
                51            52            53            54            55 
      1  -0.423609D+01  0.138068D+02 -0.100155D+00  0.607416D+01  0.202138D+02
      2  -0.680496D+01 -0.380659D+02  0.204350D+01 -0.368774D+02 -0.964267D+01
      3   0.110410D+02  0.242591D+02 -0.194335D+01  0.308033D+02 -0.105711D+02
      4   0.612718D+01 -0.130227D+02  0.455961D+01 -0.115835D+02  0.147896D+02
      5   0.221277D+01  0.499490D+02 -0.536310D+01  0.477948D+02 -0.237745D+00
      6   0.418872D+01 -0.153240D+02  0.594196D+01 -0.155376D+02  0.139630D+02
                56            57            58            59            60 
      1   0.176034D+01  0.146743D+02  0.615103D+01 -0.172610D+02  0.168744D+02
      2   0.179501D+00 -0.856405D+01  0.251953D+02 -0.173100D+01  0.656355D+01
      3  -0.193984D+01 -0.611025D+01 -0.313464D+02  0.189920D+02 -0.234379D+02
      4  -0.163605D+02  0.145113D+02  0.836256D+01  0.888340D+00  0.265698D+02
      5   0.126088D+02  0.605329D+01 -0.265216D+02  0.199106D+02 -0.218034D+02
      6  -0.227518D+02  0.895449D+01  0.293560D+02 -0.350513D+02  0.416624D+02
                61            62            63            64            65 
      1  -0.141296D+02  0.219281D+02  0.137332D+02  0.128653D+02 -0.348590D+01
      2   0.287605D+02 -0.254567D+02  0.149720D+02  0.118257D+02 -0.180793D+02
      3  -0.146309D+02  0.352862D+01 -0.287052D+02 -0.246910D+02  0.215652D+02
      4   0.349124D+02  0.114901D+01  0.155958D+02 -0.479560D+02  0.440035D+02
      5  -0.194625D+02  0.162804D+02 -0.994753D+01  0.156301D+02 -0.135705D+02
      6   0.237437D+02  0.127139D+01  0.134703D+02 -0.207916D+02  0.228213D+02
                66            67            68            69            70 
      1  -0.444697D+00 -0.595934D+01 -0.283333D+01  0.192883D+01  0.204877D+01
      2   0.256839D+01 -0.212772D+02  0.334108D+02 -0.430397D+01 -0.404005D+01
      3  -0.212369D+01  0.272366D+02 -0.305775D+02  0.237514D+01  0.199128D+01
      4  -0.102775D+02  0.467066D+02 -0.498417D+02  0.653233D+01 -0.124540D+00
      5   0.772354D+01 -0.100367D+02  0.986416D+01 -0.505286D+01  0.616273D+01
      6  -0.994817D+01  0.187724D+02 -0.239093D+02  0.813313D+01 -0.502592D+01
                71            72            73            74            75 
      1  -0.210053D+01 -0.243612D+00 -0.275096D+02 -0.214470D+01 -0.262899D+02
      2   0.766957D+01  0.248259D+01 -0.204005D+02  0.580459D+01 -0.259573D+02
      3  -0.556904D+01 -0.223898D+01  0.479101D+02 -0.365989D+01  0.522472D+02
      4  -0.367014D+01 -0.560290D+01 -0.456041D+02  0.150695D+02 -0.330328D+02
      5  -0.438331D+01  0.195417D+01  0.201516D+02 -0.151944D+02  0.201185D+02
      6   0.336462D+01 -0.253376D+01 -0.369126D+02  0.488768D+01 -0.321760D+02
                76            77            78            79            80 
      1   0.406792D+02 -0.326216D+02  0.279296D+02 -0.455189D+00 -0.561892D+01
      2   0.419613D+02  0.423437D+02  0.810281D+02  0.123796D+02  0.126861D+02
      3  -0.826404D+02 -0.972212D+01 -0.108958D+03 -0.119244D+02 -0.706721D+01
      4   0.482332D+02 -0.322950D+02  0.449374D+02  0.126403D+01 -0.851116D+01
      5  -0.440670D+02 -0.315061D-01 -0.428947D+02 -0.650934D+01 -0.646471D+01
      6   0.581704D+02 -0.938694D+01  0.671676D+02  0.604366D+01  0.120251D+02
                81            82            83            84            85 
      1  -0.451277D+01 -0.559129D+02  0.916887D+02 -0.132384D+02 -0.181356D+02
      2   0.358954D+02 -0.188734D+01 -0.817621D+02 -0.331380D+02 -0.103162D+02
      3  -0.313826D+02  0.578002D+02 -0.992657D+01  0.463765D+02  0.284518D+02
      4   0.187492D+01 -0.412514D+02  0.207194D+02 -0.216052D+02 -0.261353D+02
      5  -0.193370D+02  0.139700D+02  0.570711D+01  0.269555D+02  0.115978D+02
      6   0.117642D+02 -0.212984D+02 -0.104299D+02 -0.471337D+02 -0.110867D+02
                86            87            88            89            90 
      1  -0.109720D+02  0.123668D+01 -0.480628D+02  0.864307D+02 -0.341948D+02
      2   0.109475D+02 -0.439374D+02  0.576980D+00 -0.101684D+03 -0.207266D+02
      3   0.244881D-01  0.427007D+02  0.474858D+02  0.152530D+02  0.549214D+02
      4   0.332933D+02 -0.666222D+01 -0.170841D+02  0.144528D+02 -0.288223D+02
      5   0.217734D+01  0.189332D+02  0.297921D+02  0.702899D+00  0.232753D+02
      6  -0.164006D+02 -0.123312D+02 -0.455307D+02  0.356859D+02 -0.554650D+02
                91            92            93            94            95 
      1   0.644853D+02 -0.279266D+02  0.410690D+02 -0.103166D+02  0.485347D+01
      2   0.229042D+02  0.248455D+02  0.511590D+02 -0.464410D+02 -0.117309D+02
      3  -0.873895D+02  0.308116D+01 -0.922280D+02  0.567576D+02  0.687741D+01
      4   0.632011D+02 -0.295892D+02  0.487930D+02 -0.321012D+02  0.438770D+01
      5  -0.372495D+02  0.303817D+00 -0.308739D+02  0.280019D+02 -0.772346D+01
      6   0.573376D+02 -0.899424D+01  0.628314D+02 -0.453712D+02  0.329645D+01
                96            97            98            99           100 
      1  -0.952850D+01  0.246791D+02 -0.150977D+02  0.212894D+02 -0.324266D+02
      2  -0.608149D+02 -0.126075D+02  0.932712D+01 -0.527949D+01 -0.152608D+02
      3   0.703434D+02 -0.120716D+02  0.577057D+01 -0.160099D+02  0.476874D+02
      4  -0.399137D+02  0.118583D+02 -0.257840D+02  0.833371D+01 -0.349391D+02
      5   0.363464D+02 -0.761610D+00 -0.286847D+01 -0.312809D+01  0.417338D+01
      6  -0.478499D+02  0.652474D+01 -0.436476D+01  0.682761D+01 -0.286697D+02
               101           102           103           104           105 
      1  -0.180433D+02 -0.228768D+02 -0.120619D+03  0.171010D+03 -0.771755D+02
      2   0.660083D+01 -0.217749D+02  0.531066D+02 -0.130891D+03  0.308458D+02
      3   0.114425D+02  0.446517D+02  0.675121D+02 -0.401195D+02  0.463297D+02
      4   0.378337D+02 -0.268245D+02 -0.552808D+02 -0.129063D+02 -0.432919D+02
      5   0.143125D+02  0.146341D+02  0.342380D+01 -0.386534D+02  0.528891D+00
      6   0.415145D+01 -0.269177D+02 -0.556792D+02  0.198239D+02 -0.322620D+02
               106           107           108           109           110 
      1  -0.858989D+02  0.732647D+02 -0.494290D+02 -0.125834D+02  0.494389D+02
      2   0.252917D+02 -0.503462D+02 -0.374937D+01  0.492177D+02 -0.576120D+02
      3   0.606072D+02 -0.229185D+02  0.531784D+02 -0.366343D+02  0.817313D+01
      4  -0.416190D+02  0.988777D+01 -0.334858D+02  0.523534D+02  0.274138D+02
      5   0.756565D+01 -0.121507D+02 -0.838654D+00  0.908595D+01  0.122360D+02
      6  -0.413146D+02  0.906833D+01 -0.372135D+02  0.346799D+02 -0.105155D+02
               111           112           113           114           115 
      1   0.273375D+02  0.146638D+03 -0.199902D+03  0.893059D+02  0.618341D+02
      2   0.527314D+01 -0.649306D+02  0.157917D+03 -0.225779D+02 -0.105886D+02
      3  -0.326107D+02 -0.817071D+02  0.419856D+02 -0.667280D+02 -0.512455D+02
      4   0.396960D+02  0.608171D+02 -0.148202D+02  0.407080D+02  0.407344D+02
      5   0.439914D+01 -0.995356D+01  0.377045D+02 -0.381034D+01 -0.243154D+01
      6   0.220730D+02  0.578092D+02 -0.243817D+02  0.383730D+02  0.420896D+02
               116           117           118           119           120 
      1  -0.573248D+02  0.356954D+02  0.100555D+03 -0.155347D+03  0.527900D+02
      2   0.242119D+02 -0.254959D+00 -0.434783D+02  0.159264D+03 -0.380134D+01
      3   0.331129D+02 -0.354405D+02 -0.570763D+02 -0.391694D+01 -0.489886D+02
      4  -0.133156D+02  0.412502D+02  0.503447D+02 -0.489111D+02  0.178479D+02
      5   0.302555D+02 -0.331409D+01 -0.222731D+02  0.604717D+00 -0.196044D+02
      6   0.836333D+00  0.373491D+02  0.275197D+02 -0.380706D+02  0.256751D+02
               121           122           123           124           125 
      1  -0.554952D+02  0.814471D+02 -0.191209D+02  0.522686D+02 -0.466589D+02
      2   0.456228D+02 -0.527316D+02  0.729301D+01 -0.365674D+02  0.370728D+02
      3   0.987236D+01 -0.287156D+02  0.118279D+02 -0.157012D+02  0.958609D+01
      4   0.742747D+01  0.260920D+02 -0.457213D+01  0.163807D+02 -0.430376D+02
      5   0.611645D+01 -0.155134D+02  0.594774D+01 -0.171160D+01 -0.255661D+01
      6  -0.134130D+02 -0.106205D+02 -0.175970D+02  0.227769D+02 -0.743987D+01
               126           127           128           129           130 
      1   0.128809D+02 -0.117150D+03  0.143656D+03 -0.434320D+02 -0.117551D+02
      2   0.285178D+01  0.720858D+02 -0.573714D+02  0.302188D+02  0.885771D+01
      3  -0.157326D+02  0.450644D+02 -0.862842D+02  0.132132D+02  0.289736D+01
      4   0.918587D+01 -0.923525D+01 -0.140258D+03 -0.321379D+01 -0.181828D+01
      5  -0.189173D+02 -0.130925D+02 -0.104455D+03  0.338140D+00 -0.143354D+02
      6   0.502650D+02 -0.182940D+02  0.496113D+01 -0.703778D+01  0.168069D+02
               131           132           133           134           135 
      1  -0.604579D+02  0.122585D+02 -0.307985D+02  0.196852D+02 -0.127884D+02
      2   0.707472D+02 -0.202816D+02  0.258643D+02  0.983638D+01  0.415050D+01
      3  -0.102893D+02  0.802313D+01  0.493421D+01 -0.295216D+02  0.863790D+01
      4  -0.539163D+02  0.117447D+02  0.727660D+01 -0.570823D+02  0.243872D+01
      5  -0.412871D+02  0.582484D+01 -0.151011D+02 -0.439686D+02 -0.752082D+01
      6  -0.604230D+01 -0.347426D+01  0.370355D+00  0.134651D+01  0.151689D+01
               136           137           138           139           140 
      1   0.139774D+03 -0.145864D+03  0.463553D+02 -0.269781D+02  0.572598D+02
      2  -0.760686D+02  0.553567D+02 -0.190788D+02  0.222123D+02 -0.862647D+02
      3  -0.637050D+02  0.905076D+02 -0.272764D+02  0.476585D+01  0.290048D+02
      4  -0.289272D+01  0.131548D+03 -0.781800D+01  0.472147D+02  0.696811D+02
      5   0.137838D+02  0.110265D+03 -0.805061D+01  0.168722D+02  0.505385D+02
      6   0.112480D+02 -0.167732D+01  0.888577D+01  0.176579D+02 -0.294728D+01
               141           142           143           144           145 
      1  -0.245935D+01  0.937010D+01 -0.297769D+02  0.228508D+02  0.281524D+02
      2   0.592820D+01 -0.882840D+01 -0.287780D+01 -0.244576D+02  0.925153D+01
      3  -0.346884D+01 -0.541703D+00  0.326547D+02  0.160682D+01 -0.374039D+02
      4   0.167042D+02  0.522958D+01  0.571179D+02  0.110308D+02  0.547151D+02
      5   0.553943D+01  0.335117D+02  0.545618D+02  0.118646D+02 -0.162652D+02
      6   0.544744D+01  0.167026D+02 -0.297185D+00 -0.115236D+01  0.180631D+02
               146           147           148           149           150 
      1  -0.287628D+02  0.365079D+01 -0.141212D+02  0.263010D+02 -0.342237D+02
      2   0.149431D+02  0.229011D+00 -0.961698D+01  0.425519D+02  0.250813D+02
      3   0.138197D+02 -0.387980D+01  0.237382D+02 -0.688530D+02  0.914240D+01
      4   0.536370D+02  0.240084D+02 -0.583185D+02 -0.116333D+03 -0.365799D+02
      5   0.175300D+02  0.110191D+02 -0.353369D+02 -0.881351D+02 -0.241971D+02
      6   0.988411D+01  0.209941D+02 -0.452031D+02 -0.263531D+01 -0.271318D+02
               151           152           153           154           155 
      1  -0.262881D+02 -0.165695D+02  0.378295D+01 -0.444009D+02  0.201602D+02
      2  -0.111645D+02  0.236909D+02 -0.215961D+02 -0.115311D+02  0.429463D+02
      3   0.374526D+02 -0.712149D+01  0.178132D+02  0.559320D+02 -0.631065D+02
      4  -0.392244D+02 -0.245791D+02  0.750039D+01 -0.718734D+02 -0.390265D+02
      5   0.237563D+02 -0.190558D+02  0.262499D+02 -0.162403D+02 -0.571211D+02
      6   0.874367D+01  0.534060D+01  0.981788D+01 -0.515610D+02 -0.806452D+00
               156           157           158           159           160 
      1  -0.406932D+02  0.589696D+02 -0.900679D+01  0.393812D+02 -0.264549D+01
      2   0.146907D+02 -0.224980D+02 -0.390091D+01 -0.315873D+02 -0.244371D+02
      3   0.260024D+02 -0.364716D+02  0.129077D+02 -0.779383D+01  0.270826D+02
      4  -0.569799D+02  0.705331D+02  0.734642D+02  0.117912D+02 -0.296174D+02
      5  -0.230504D+02  0.180953D+02  0.291683D+02  0.145052D+02  0.997113D+01
      6  -0.396572D+02  0.169637D+02 -0.167265D+02  0.953620D+01 -0.133717D+02
               161           162           163           164           165 
      1  -0.967203D+01 -0.270144D+02 -0.937202D+02 -0.811476D+02  0.217159D+00
      2  -0.176853D+02 -0.955053D+01  0.640284D+02  0.980174D+02  0.120305D+01
      3   0.273573D+02  0.365650D+02  0.296918D+02 -0.168697D+02 -0.142021D+01
      4  -0.274880D+02 -0.120043D+01  0.644254D+02 -0.978178D+01 -0.135289D+02
      5   0.147025D+02  0.164987D+02 -0.553570D+02 -0.666863D+02  0.129584D+01
      6   0.228383D+02  0.401698D+01 -0.715198D+01  0.288335D+02  0.496994D+00
               166           167           168           169           170 
      1   0.743396D+02  0.518573D+02  0.397737D+00  0.255469D+02  0.100781D+02
      2  -0.546632D+02 -0.104065D+03  0.533792D+01 -0.198938D+02 -0.215255D+02
      3  -0.196764D+02  0.522072D+02 -0.573566D+01 -0.565310D+01  0.114474D+02
      4  -0.154666D+02  0.929965D+02 -0.878059D+01  0.589656D+00  0.316237D+02
      5   0.398627D+02  0.879912D+02 -0.687788D+01  0.583885D+01  0.313761D+02
      6  -0.147500D+02 -0.145346D+02 -0.138249D+01  0.154222D+00 -0.329791D+01
               171           172           173           174           175 
      1  -0.695575D+01  0.121297D+03  0.288146D+02 -0.702315D+01 -0.578036D+02
      2  -0.260356D+01 -0.746285D+02 -0.442090D+02  0.109788D+02  0.467621D+02
      3   0.955931D+01 -0.466682D+02  0.153943D+02 -0.395569D+01  0.110416D+02
      4   0.154391D+01 -0.815694D+02 -0.608964D+01 -0.237970D+01  0.733765D+01
      5   0.259505D+01  0.487214D+02  0.563680D+02 -0.989363D+01 -0.607972D+02
      6  -0.158939D+01 -0.130696D+02 -0.128902D+02 -0.179568D+01  0.314958D+01
               176           177           178           179           180 
      1  -0.943729D+02 -0.284323D+01 -0.278662D+01 -0.190381D+02 -0.552876D+00
      2   0.161158D+03  0.742752D+01  0.116489D+02  0.391292D+02  0.259106D+00
      3  -0.667847D+02 -0.458430D+01 -0.886224D+01 -0.200911D+02  0.293770D+00
      4  -0.101267D+03 -0.413053D+01 -0.543281D+01 -0.216446D+02 -0.184855D+02
      5  -0.120166D+03  0.392754D+01  0.162872D+01 -0.441618D+02 -0.967218D+01
      6   0.448274D+02  0.270890D+00 -0.138769D+02  0.260399D+02 -0.141178D+01
               181           182           183           184           185 
      1  -0.647889D+02  0.740822D+01  0.557216D+01 -0.145528D+03  0.366317D+02
      2   0.318552D+02 -0.102098D+02 -0.699805D+01  0.102818D+03 -0.231042D+02
      3   0.329338D+02  0.280157D+01  0.142589D+01  0.427097D+02 -0.135275D+02
      4   0.563588D+02  0.177480D+02  0.102481D+02  0.457582D+02 -0.267116D+02
      5  -0.279003D+02 -0.148668D+02  0.116157D+02 -0.380517D+02 -0.245807D+02
      6   0.142043D+02 -0.256105D+01 -0.239576D+01  0.242564D+02 -0.910340D+01
               186           187           188           189           190 
      1  -0.170562D+02 -0.723893D+02  0.270259D+02  0.191972D+02 -0.864224D+00
      2   0.743706D+01  0.503653D+02 -0.256287D+02 -0.158173D+02 -0.305642D+01
      3   0.961911D+01  0.220240D+02 -0.139726D+01 -0.337992D+01  0.392065D+01
      4   0.318104D+02  0.128575D+02  0.136155D+02 -0.184651D+02 -0.111926D+02
      5  -0.135512D+02  0.335563D+02 -0.521120D+02 -0.134645D+02 -0.162057D+02
      6   0.117605D+02 -0.671117D+01  0.181386D+02 -0.271452D+01  0.695463D-01
               191           192           193           194           195 
      1   0.439966D+02 -0.268978D+02  0.160036D+03 -0.107348D+03  0.120326D+01
      2  -0.379701D+02  0.148359D+02 -0.974034D+02  0.728693D+02  0.913857D+01
      3  -0.602650D+01  0.120619D+02 -0.626326D+02  0.344786D+02 -0.103418D+02
      4   0.179259D+02  0.385083D+01 -0.743623D+02  0.558145D+02 -0.254449D+02
      5  -0.399428D+01  0.119166D+02 -0.139714D+02  0.492054D+02 -0.508268D-01
      6  -0.160670D+01  0.115427D+01 -0.136960D+02  0.487791D+01 -0.235659D+01
               196           197           198           199           200 
      1   0.675583D+01 -0.327842D+02  0.237076D+02  0.446558D+02  0.473849D+02
      2  -0.109122D+02  0.197402D+02 -0.243741D+02 -0.445909D+02 -0.483283D+02
      3   0.415642D+01  0.130440D+02  0.666523D+00 -0.649356D-01  0.943310D+00
      4  -0.463697D+02  0.863228D+01 -0.119320D+02 -0.371360D+02 -0.210083D+02
      5   0.521310D+02  0.222097D+02  0.225557D+02  0.231945D+02  0.324337D+02
      6  -0.161992D+02  0.180079D+01 -0.123044D+02  0.553436D+01 -0.179676D+02
               201           202           203           204           205 
      1  -0.625175D+01 -0.351352D+01  0.286633D+02  0.982760D+01  0.144181D+01
      2   0.520472D+00  0.252396D+02 -0.403293D+02 -0.190649D+02  0.104371D+02
      3   0.573128D+01 -0.217261D+02  0.116660D+02  0.923730D+01 -0.118789D+02
      4   0.108740D+02 -0.132048D+03 -0.321033D+02  0.309161D+02 -0.524835D+02
      5   0.311632D+01  0.526997D+02  0.124764D+02 -0.112837D+02  0.248212D+02
      6  -0.543751D+01  0.252798D+02 -0.797541D+01 -0.520281D+01  0.101528D+02
               206           207           208           209           210 
      1   0.704175D+01  0.436411D+01  0.587912D+01  0.116159D+03  0.168371D+02
      2  -0.827174D+01 -0.125570D+02 -0.961552D+01 -0.149404D+03 -0.103793D+02
      3   0.122999D+01  0.819290D+01  0.373639D+01  0.332450D+02 -0.645779D+01
      4  -0.714178D+01  0.988672D+01 -0.477653D+02  0.327406D+02  0.204303D+02
      5   0.510005D+01 -0.509614D+00  0.537785D+02  0.618826D+02  0.838293D+01
      6  -0.232224D+01 -0.627430D+01  0.483338D+01 -0.387158D+02 -0.257592D+02
               211           212           213           214           215 
      1   0.186284D+02  0.691898D+02  0.271196D+01 -0.513814D+01  0.210123D+02
      2  -0.290295D+02 -0.113636D+03 -0.499464D+01  0.190484D+02 -0.436479D+02
      3   0.104010D+02  0.444465D+02  0.228268D+01 -0.139102D+02  0.226356D+02
      4  -0.150575D+01  0.557293D+02  0.212747D+02 -0.517643D+01  0.262053D+02
      5   0.302204D+02  0.877107D+02  0.112831D+01  0.360362D+02  0.120731D+02
      6   0.135976D+02 -0.446458D+02 -0.449402D+01 -0.366940D+02  0.857008D+01
               216           217           218           219           220 
      1  -0.657869D+01  0.192723D+02 -0.824811D+02 -0.134169D+02 -0.202590D+02
      2   0.373204D+00 -0.307018D+02  0.114075D+03  0.136288D+02  0.212170D+02
      3   0.620549D+01  0.114295D+02 -0.315940D+02 -0.211873D+00 -0.957993D+00
      4  -0.263861D+02  0.115864D+03 -0.420300D+02 -0.416208D+02 -0.834076D+01
      5  -0.108445D+02 -0.645759D+02 -0.681509D+02 -0.254053D+01  0.150306D+02
      6   0.111823D+02 -0.217787D+02  0.331888D+02  0.240229D+02  0.195178D+01
               221           222           223           224           225 
      1  -0.187912D+02  0.175308D+02 -0.116841D+02  0.845092D+01 -0.246712D+02
      2   0.322458D+02 -0.260944D+02  0.626869D+01 -0.361769D+02  0.139588D+02
      3  -0.134546D+02  0.856363D+01  0.541538D+01  0.277260D+02  0.107123D+02
      4  -0.380305D+02  0.488445D+01 -0.101023D+02 -0.313981D+01  0.216699D-02
      5  -0.948939D+01 -0.621850D+01  0.722335D+01 -0.175614D+02 -0.128008D+02
      6  -0.211961D+02  0.271176D+01  0.169721D+02  0.474961D+02  0.165210D+02
               226           227           228           229           230 
      1  -0.634956D+02  0.391768D+01  0.113403D+02  0.132522D+02 -0.430441D+02
      2   0.597598D+02 -0.234514D+01 -0.127436D+02 -0.338289D+02  0.631963D+02
      3   0.373584D+01 -0.157253D+01  0.140332D+01  0.205767D+02 -0.201522D+02
      4  -0.266620D+02  0.264365D+02  0.225929D+02  0.136195D+03  0.364077D+02
      5   0.200447D+02  0.858487D+01 -0.880806D+01 -0.654855D+02 -0.227385D+02
      6   0.134509D+02 -0.110112D+01 -0.398723D+01 -0.278569D+02  0.128192D+02
               231           232           233           234           235 
      1  -0.717075D+01  0.107030D+02 -0.409140D+01 -0.200253D+02  0.484423D+02
      2   0.258275D+02 -0.171753D+02  0.735019D+01  0.187091D+02 -0.416447D+02
      3  -0.186567D+02  0.647236D+01 -0.325880D+01  0.131623D+01 -0.679757D+01
      4  -0.331059D+02  0.478517D+02  0.120945D+02 -0.126147D+02 -0.262977D+02
      5   0.133885D+02 -0.271997D+02 -0.573760D+01  0.981134D+01 -0.513308D+01
      6   0.755659D+01 -0.109286D+02  0.176439D+02  0.819336D+01 -0.914282D+00
               236           237           238           239           240 
      1   0.233886D+01 -0.141939D+02 -0.454386D+01  0.603503D+01  0.172259D+02
      2  -0.192978D+02  0.718224D+01  0.905701D+01 -0.812903D+00 -0.229729D+02
      3   0.169590D+02  0.701163D+01 -0.451315D+01 -0.522213D+01  0.574699D+01
      4  -0.592531D+02 -0.121241D+02  0.335542D+02  0.177621D+02 -0.110952D+02
      5  -0.667162D+01 -0.224658D+01  0.337340D+01 -0.110295D+02 -0.639627D+00
      6   0.843848D+01  0.107561D+00 -0.878750D+01 -0.265450D+02  0.430213D+01
               241           242           243           244           245 
      1  -0.889664D+01  0.207310D+02 -0.879816D+01 -0.565046D+01 -0.302789D+02
      2   0.599734D+01 -0.274080D+02  0.770602D+01 -0.361422D+01  0.412063D+02
      3   0.289930D+01  0.667696D+01  0.109214D+01  0.926468D+01 -0.109274D+02
      4   0.264265D+02  0.102109D+02  0.144084D+02  0.304412D+02  0.411982D+02
      5   0.103072D+02  0.109728D+02  0.980286D+01 -0.172582D+02  0.496851D+01
      6   0.947326D+01  0.217911D+02  0.118634D+02 -0.323070D+00  0.208375D+01
               246           247           248           249           250 
      1  -0.638104D+01  0.485034D+02 -0.182868D+02 -0.226045D+02  0.382933D+02
      2   0.108101D+02 -0.545251D+02  0.496300D+01  0.193631D+02 -0.372394D+02
      3  -0.442902D+01  0.602162D+01  0.133238D+02  0.324140D+01 -0.105397D+01
      4   0.416729D+01 -0.133118D+02 -0.418169D+02 -0.245839D+02 -0.178879D+02
      5   0.217006D+02 -0.449514D+02 -0.114736D+02  0.896313D+01  0.152922D+02
      6   0.128528D+02 -0.231995D+02 -0.329682D+01  0.569254D+01  0.179313D+02
               251           252           253           254           255 
      1   0.354157D+01 -0.797361D+01  0.187624D+02  0.195094D+02 -0.989507D+01
      2  -0.146528D+02  0.309393D+01 -0.263332D+02  0.509614D+01  0.900267D+01
      3   0.111112D+02  0.487968D+01  0.757082D+01 -0.246056D+02  0.892394D+00
      4  -0.406538D+02  0.135559D+02  0.758920D+02  0.191674D+02 -0.108696D+02
      5   0.713197D+01 -0.791365D+01 -0.275791D+02  0.763236D+00 -0.102921D+01
      6   0.189791D+02 -0.947957D+01 -0.625082D+01  0.811975D+01  0.492575D+01
               256           257           258           259           260 
      1  -0.276494D+02  0.897279D+01  0.110385D+02 -0.784897D+01 -0.286690D+01
      2   0.362159D+02 -0.802985D+00 -0.591700D+00  0.164055D+02  0.415399D+01
      3  -0.856657D+01 -0.816980D+01 -0.104468D+02 -0.855654D+01 -0.128709D+01
      4  -0.912307D+01  0.417903D+02  0.144030D+02 -0.224605D+02  0.100913D+02
      5   0.104122D+02  0.978706D+01  0.924694D+01  0.190842D+02  0.840372D+01
      6   0.128017D+02 -0.219309D+01 -0.319727D+01  0.185690D+02  0.282965D+01
               261           262           263           264           265 
      1   0.683906D+01 -0.416752D+02 -0.123482D+02  0.146566D+02 -0.131631D+02
      2  -0.930357D+01  0.520668D+02 -0.445500D+01 -0.242876D+02  0.998511D+01
      3   0.246451D+01 -0.103916D+02  0.168032D+02  0.963098D+01  0.317794D+01
      4   0.151412D+02 -0.733862D+02 -0.217475D+02  0.810157D+01  0.110521D+02
      5  -0.347256D+01  0.448002D+02 -0.153633D+02 -0.149175D+02  0.164077D+02
      6  -0.129760D+02  0.678407D+01  0.169446D+01 -0.373058D+01 -0.220193D+01
               266           267           268           269           270 
      1   0.802572D+01  0.798277D+01 -0.116658D+00  0.905078D+01 -0.101388D+02
      2  -0.152282D+02 -0.722526D+01 -0.822176D+00 -0.325081D+01 -0.995327D+01
      3   0.720247D+01 -0.757509D+00  0.938834D+00 -0.579997D+01  0.200920D+02
      4  -0.108937D+02  0.589455D-01  0.134597D+02  0.820300D+01 -0.889742D+01
      5   0.334467D+01 -0.976803D+01  0.271423D+01 -0.807697D+01  0.395817D+00
      6  -0.697737D+01  0.950382D+00 -0.202010D+01  0.169254D+01 -0.939395D+01
               271           272           273           274           275 
      1  -0.972744D+01  0.229690D+02 -0.161431D+01  0.157947D+02 -0.383253D+02
      2   0.309988D+02 -0.536449D+02 -0.468510D+00 -0.370923D+02  0.813430D+02
      3  -0.212714D+02  0.306759D+02  0.208282D+01  0.212976D+02 -0.430177D+02
      4  -0.336488D+02  0.450866D+02  0.185859D+01  0.315556D+02 -0.493244D+02
      5  -0.267472D+01  0.401046D+01  0.351898D+01  0.568483D+01 -0.809600D+01
      6  -0.345646D+01  0.601296D+01 -0.748901D+01 -0.357753D+01  0.250431D+01
               276           277           278           279           280 
      1  -0.410210D+01  0.187088D+01 -0.883089D+01 -0.260053D+01 -0.187039D+01
      2   0.625974D+01 -0.612388D+01  0.144403D+02  0.247599D+01  0.558218D+01
      3  -0.215763D+01  0.425300D+01 -0.560940D+01  0.124534D+00 -0.371178D+01
      4  -0.542031D+01 -0.387182D+01 -0.193340D+00 -0.652835D+01  0.791672D+01
      5  -0.264890D+01  0.299522D+01 -0.401630D+01 -0.810015D-01  0.124046D+01
      6   0.586068D+01 -0.529684D+01  0.720968D+01  0.146030D+01  0.853631D+01
               281           282           283           284           285 
      1  -0.921296D+01 -0.388610D+01 -0.673668D+01 -0.612632D+02 -0.300042D+02
      2   0.124286D+02  0.541657D+01  0.975493D+01  0.963067D+02  0.396488D+02
      3  -0.321560D+01 -0.153048D+01 -0.301825D+01 -0.350435D+02 -0.964461D+01
      4   0.145703D+02  0.100256D+02  0.841565D+01  0.257651D+02  0.999845D+01
      5   0.418084D+01  0.286378D+01  0.186972D+01 -0.126780D+01 -0.772346D-01
      6   0.978807D+01  0.106488D+02  0.504125D+01  0.499395D+02  0.331728D+02
               286           287           288           289           290 
      1  -0.520203D+01 -0.333416D+02 -0.215461D+02  0.107607D+03  0.265569D+02
      2   0.116118D+02  0.473779D+02  0.264626D+02 -0.672398D+02 -0.142372D+02
      3  -0.640982D+01 -0.140363D+02 -0.491652D+01 -0.403670D+02 -0.123197D+02
      4   0.107416D+02  0.192065D+02  0.122463D+02  0.652225D+02  0.257850D+02
      5   0.192881D+01  0.199500D+01  0.324035D+01  0.575334D+02  0.146827D+02
      6   0.484503D+01  0.359167D+02  0.235287D+02  0.170175D+02  0.716793D+01
               291           292           293           294           295 
      1   0.381948D+02  0.602920D+01  0.146524D+02  0.406592D+01  0.379258D+02
      2  -0.290278D+02 -0.146918D+01 -0.509275D+01 -0.289387D+01 -0.226325D+02
      3  -0.916700D+01 -0.456002D+01 -0.955969D+01 -0.117205D+01 -0.152933D+02
      4   0.249796D+02  0.242692D+02  0.130567D+02  0.114672D+02  0.280914D+02
      5   0.337909D+02  0.116398D+02  0.587883D+01  0.810841D+01  0.246841D+02
      6   0.103086D+02  0.925289D+01  0.434537D+01  0.657138D+01  0.798421D+01
               296           297           298           299           300 
      1   0.765114D+01  0.159352D+02  0.677027D+00  0.556357D+01 -0.838483D+00
      2  -0.450071D+01 -0.119366D+02  0.460068D+01  0.118660D+01  0.121085D+01
      3  -0.315043D+01 -0.399858D+01 -0.527771D+01 -0.675018D+01 -0.372365D+00
      4   0.102061D+02  0.125528D+02  0.199592D+02  0.254041D+02  0.147420D+02
      5   0.977239D+01  0.158232D+02  0.945903D+01  0.126604D+02  0.106509D+02
      6   0.528352D+01  0.550943D+01  0.104836D+02  0.132139D+02  0.874789D+01
               301           302           303           304           305 
      1  -0.610018D+01 -0.355196D+02 -0.171647D+02 -0.565141D+01 -0.942296D+01
      2   0.184545D+02  0.552143D+02  0.207571D+02  0.840188D+01  0.219325D+02
      3  -0.123543D+02 -0.196947D+02 -0.359235D+01 -0.275047D+01 -0.125095D+02
      4   0.354822D+02  0.696740D+02  0.341115D+02  0.228598D+02  0.407669D+02
      5   0.125465D+02  0.264606D+02  0.176542D+02  0.121846D+02  0.140612D+02
      6   0.204183D+02  0.517559D+02  0.321710D+02  0.140143D+02  0.273838D+02
               306           307           308           309           310 
      1  -0.925990D+01  0.785862D+02 -0.433436D+02 -0.370554D+01 -0.444104D+02
      2   0.905162D+01 -0.297470D+02  0.135786D+02  0.214584D+01  0.810436D+01
      3   0.208281D+00 -0.488391D+02  0.297650D+02  0.155970D+01  0.363061D+02
      4   0.209974D+02 -0.765321D+02  0.520856D+02  0.160737D+01  0.678020D+02
      5   0.135469D+02 -0.105462D+02  0.228820D+01  0.917819D+01  0.102231D+02
      6   0.217568D+02 -0.129393D+01  0.181397D+01 -0.413865D+01 -0.139243D+01
               311           312           313           314           315 
      1   0.305553D+02  0.446157D+01 -0.590614D+01  0.241452D+01  0.182130D+01
      2   0.142589D+01 -0.208489D+01  0.895161D+00  0.155322D+01 -0.719309D+00
      3  -0.319812D+02 -0.237669D+01  0.501098D+01 -0.396774D+01 -0.110199D+01
      4  -0.612192D+02 -0.549867D+01  0.118470D+02 -0.122771D+02 -0.338004D+01
      5  -0.128406D+02 -0.795857D+01  0.632138D+01  0.281670D+00 -0.139485D+01
      6   0.245385D+01  0.483807D+01 -0.236797D+01  0.106169D+01  0.218101D+01
               316           317           318           319           320 
      1   0.165571D+03  0.838061D+01  0.312707D+02  0.212472D+02  0.107246D+02
      2  -0.102414D+03 -0.551055D+01 -0.222771D+02 -0.144749D+02 -0.682978D+01
      3  -0.631572D+02 -0.287006D+01 -0.899369D+01 -0.677237D+01 -0.389487D+01
      4   0.733021D+00  0.812748D+01 -0.131657D+01  0.189776D+02  0.554662D+01
      5   0.431775D+02  0.155865D+01  0.212853D+02  0.111327D+02  0.860709D+01
      6  -0.669242D+01  0.100894D+01 -0.242529D+01  0.184236D+01 -0.611884D+00
               321           322           323           324           325 
      1   0.721420D+01  0.451109D+02  0.423383D+01  0.120349D+02  0.180891D+02
      2  -0.582018D+01 -0.303504D+02 -0.168687D+01 -0.912172D+01  0.131136D+02
      3  -0.139401D+01 -0.147605D+02 -0.254696D+01 -0.291320D+01 -0.312028D+02
      4   0.402216D+01  0.383065D+01  0.242031D+01  0.357680D+00 -0.703607D+02
      5   0.493431D+01  0.158921D+02 -0.330787D+01  0.807943D+01 -0.155473D+02
      6   0.126442D+01 -0.116440D+01  0.229170D+01  0.600381D+00  0.113312D+02
               326           327           328           329           330 
      1  -0.516435D+01 -0.282364D+01  0.390718D+01 -0.931207D+01 -0.238621D+01
      2  -0.243201D+02 -0.269267D+01 -0.274784D+02  0.423778D+02  0.765421D+01
      3   0.294844D+02  0.551631D+01  0.235712D+02 -0.330657D+02 -0.526800D+01
      4   0.639819D+02  0.164501D+02  0.526086D+02 -0.676269D+02 -0.170106D+02
      5   0.156860D+02  0.104893D+02  0.147302D+02 -0.134697D+02 -0.881969D+01
      6  -0.129707D+02 -0.914224D+01 -0.149004D+02  0.164851D+02  0.117805D+02
               331           332           333           334           335 
      1   0.422290D+00 -0.796534D+00 -0.846269D-01 -0.746203D+01 -0.173347D+02
      2  -0.970432D+01  0.669014D+01  0.306342D+01  0.111621D+02  0.233273D+02
      3   0.928203D+01 -0.589361D+01 -0.297879D+01 -0.370012D+01 -0.599251D+01
      4   0.164946D+02 -0.170587D+02 -0.682299D+01  0.454800D+01  0.165450D+02
      5   0.503650D+01 -0.691581D+01 -0.437870D+01 -0.132134D+01  0.231084D+01
      6  -0.270319D+01  0.905961D+01  0.427352D+01  0.432248D+01  0.738000D+01
               336           337           338           339           340 
      1  -0.427410D+01 -0.329767D+01 -0.883336D+02 -0.246321D+02 -0.300581D+00
      2   0.503340D+01  0.312708D+01  0.131472D+03  0.312411D+02  0.226494D+01
      3  -0.759300D+00  0.170594D+00 -0.431385D+02 -0.660902D+01 -0.196436D+01
      4   0.322229D+01  0.722921D+01 -0.136655D+02 -0.376315D+01  0.287101D+00
      5   0.255795D+01  0.118884D+01 -0.621053D+01 -0.343285D+01  0.353254D+01
      6   0.379344D+01  0.239156D+01  0.491573D+02  0.234660D+02 -0.272521D+01
               341           342           343           344           345 
      1  -0.304341D+02 -0.100516D+02 -0.297968D+01 -0.643626D+01 -0.123883D+01
      2   0.446861D+02  0.123001D+02  0.117078D+02  0.182971D+02  0.346989D+01
      3  -0.142519D+02 -0.224857D+01 -0.872811D+01 -0.118608D+02 -0.223107D+01
      4  -0.772333D+01 -0.136482D+01  0.146324D+02  0.261002D+02  0.598753D+01
      5  -0.115274D+01 -0.450042D+00  0.195723D+01  0.500340D+01  0.412270D+01
      6   0.175320D+02  0.111612D+02  0.451043D+01  0.391923D+01  0.294356D+01
               346           347           348           349           350 
      1  -0.148618D+02 -0.594706D+02 -0.155323D+02 -0.353092D+01 -0.212900D+02
      2   0.287097D+02  0.101648D+03  0.227926D+02  0.613504D+01  0.325231D+02
      3  -0.138478D+02 -0.421773D+02 -0.726029D+01 -0.260413D+01 -0.112331D+02
      4   0.236081D+02  0.537352D+02  0.144130D+02  0.747618D+01  0.164045D+02
      5   0.636538D+01  0.137869D+02  0.649858D+01  0.202402D+01  0.506271D+01
      6   0.978250D+01  0.290775D+02  0.172946D+02  0.443522D+01  0.150645D+02
               351           352           353           354           355 
      1  -0.875955D+01  0.520959D+02  0.201425D+02 -0.111126D+01  0.107112D+02
      2   0.111831D+02 -0.141037D+02  0.819933D+00  0.811000D+00  0.474486D+01
      3  -0.242354D+01 -0.379923D+02 -0.209624D+02  0.300258D+00 -0.154561D+02
      4   0.564108D+01  0.744957D+02  0.435793D+02 -0.208660D+01  0.325867D+02
      5   0.305473D+01 -0.348431D+01 -0.123333D+01  0.799640D+01  0.190262D+01
      6   0.875923D+01 -0.621034D+01 -0.390993D+01  0.551942D+01  0.734923D+00
               356           357           358           359           360 
      1   0.554106D+01  0.415015D+00 -0.328314D+01 -0.879098D+00  0.218580D+01
      2   0.755136D+01 -0.533147D-01  0.430212D+01  0.238462D+01 -0.405334D+00
      3  -0.130924D+02 -0.361700D+00 -0.101899D+01 -0.150552D+01 -0.178047D+01
      4   0.268175D+02  0.168948D+01  0.147856D+01  0.409367D+01  0.343592D+01
      5   0.124404D+01  0.263506D+01  0.279019D+01  0.233882D+01  0.197661D+01
      6  -0.136474D+01  0.227906D+01  0.105332D+01  0.186980D+01  0.101748D+01
               361           362           363           364           365 
      1   0.124112D+03 -0.151457D+02 -0.222548D+02 -0.785596D+01  0.180408D+02
      2  -0.724342D+02  0.755536D+01  0.171620D+02  0.222393D+01 -0.120304D+02
      3  -0.516777D+02  0.759035D+01  0.509288D+01  0.563203D+01 -0.601047D+01
      4  -0.143873D+02  0.311584D+02  0.656808D+01  0.676182D+02 -0.211343D+02
      5  -0.449701D+02  0.807600D+01  0.400082D+02  0.108322D+01 -0.243935D+02
      6   0.197238D+01 -0.916764D+01 -0.101736D+01 -0.242500D+02  0.639459D+01
               366           367           368           369           370 
      1  -0.133292D+01  0.736756D+01  0.936795D+00  0.196876D+01 -0.407421D+01
      2  -0.379719D+01  0.184127D+02 -0.355038D+01 -0.456424D+02  0.266347D+01
      3   0.513011D+01 -0.257803D+02  0.261358D+01  0.436736D+02  0.141074D+01
      4  -0.259311D+02  0.109782D+02 -0.120343D+02 -0.322227D+01 -0.211312D+01
      5  -0.109647D+02  0.615146D+02 -0.116428D+02 -0.542232D+02  0.494660D+01
      6   0.245162D+02 -0.700786D+00  0.165015D+02 -0.424038D+01  0.552795D+00
               371           372           373           374           375 
      1  -0.112528D+01  0.105336D+01 -0.465235D+01 -0.596718D+01 -0.141085D+01
      2  -0.128909D+01 -0.202136D+01  0.320547D+01 -0.180564D+01 -0.440031D+01
      3   0.241437D+01  0.967997D+00  0.144689D+01  0.777282D+01  0.581115D+01
      4  -0.101471D+01  0.832669D+00 -0.743009D+00 -0.316984D+01 -0.100903D+01
      5   0.423762D+01 -0.192334D+01  0.418847D+01  0.440471D+01 -0.337749D+01
      6  -0.783077D+00 -0.511649D+00 -0.171365D+00  0.116898D+01  0.102795D+01
               376           377           378 
      1  -0.574474D+00 -0.802728D+00 -0.399127D+01
      2   0.736902D+00 -0.300955D+01 -0.150495D+01
      3  -0.162428D+00  0.381228D+01  0.549622D+01
      4   0.122076D+01 -0.141652D+01 -0.772471D+00
      5   0.123764D+01  0.594978D-01 -0.355005D+00
      6  -0.775720D+00  0.115376D+01  0.237026D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Jul 19 04:54:12 2021, MaxMem=  5637144576 cpu:         1455659.6 elap:          182722.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -481.13207 -61.95079 -55.86662 -55.86265 -55.86259
 Alpha  occ. eigenvalues --  -10.05330 -10.02101 -10.02066 -10.01994 -10.01788
 Alpha  occ. eigenvalues --  -10.01598 -10.01491 -10.01486 -10.01310 -10.01125
 Alpha  occ. eigenvalues --  -10.00891 -10.00834 -10.00803 -10.00511 -10.00465
 Alpha  occ. eigenvalues --  -10.00458 -10.00457 -10.00381 -10.00320 -10.00259
 Alpha  occ. eigenvalues --  -10.00077 -10.00017  -9.99695  -9.99648  -9.99572
 Alpha  occ. eigenvalues --   -9.99462  -8.53503  -6.41375  -6.40035  -6.40013
 Alpha  occ. eigenvalues --   -2.61207  -2.60857  -2.60845  -2.59852  -2.59851
 Alpha  occ. eigenvalues --   -0.94648  -0.92863  -0.91360  -0.89364  -0.87337
 Alpha  occ. eigenvalues --   -0.85288  -0.84517  -0.83340  -0.81489  -0.80315
 Alpha  occ. eigenvalues --   -0.78962  -0.78003  -0.76510  -0.75996  -0.70254
 Alpha  occ. eigenvalues --   -0.69789  -0.67775  -0.67392  -0.66921  -0.65915
 Alpha  occ. eigenvalues --   -0.63475  -0.61728  -0.59678  -0.59141  -0.57583
 Alpha  occ. eigenvalues --   -0.56813  -0.55898  -0.54775  -0.53334  -0.52424
 Alpha  occ. eigenvalues --   -0.51314  -0.51068  -0.50229  -0.49761  -0.49356
 Alpha  occ. eigenvalues --   -0.48690  -0.48284  -0.48140  -0.47908  -0.47282
 Alpha  occ. eigenvalues --   -0.46447  -0.45262  -0.45214  -0.44339  -0.43779
 Alpha  occ. eigenvalues --   -0.43160  -0.42440  -0.41865  -0.40786  -0.40554
 Alpha  occ. eigenvalues --   -0.39896  -0.38699  -0.38257  -0.38055  -0.36724
 Alpha  occ. eigenvalues --   -0.36520  -0.35476  -0.35015  -0.32796  -0.30255
 Alpha  occ. eigenvalues --   -0.29929  -0.27730  -0.27616
 Alpha virt. eigenvalues --   -0.02591  -0.01846   0.00647   0.00939   0.02456
 Alpha virt. eigenvalues --    0.02789   0.03003   0.03589   0.03859   0.04254
 Alpha virt. eigenvalues --    0.04485   0.04675   0.05110   0.05271   0.05445
 Alpha virt. eigenvalues --    0.05805   0.06252   0.06718   0.07076   0.07196
 Alpha virt. eigenvalues --    0.07508   0.08042   0.08366   0.08686   0.08985
 Alpha virt. eigenvalues --    0.09361   0.09545   0.09763   0.10218   0.10547
 Alpha virt. eigenvalues --    0.11102   0.11496   0.11527   0.11717   0.11746
 Alpha virt. eigenvalues --    0.12115   0.12185   0.12451   0.12621   0.12782
 Alpha virt. eigenvalues --    0.13162   0.13540   0.13588   0.13686   0.13809
 Alpha virt. eigenvalues --    0.14198   0.14605   0.14869   0.15102   0.15175
 Alpha virt. eigenvalues --    0.15206   0.15740   0.15826   0.15954   0.16280
 Alpha virt. eigenvalues --    0.16459   0.16706   0.16867   0.17287   0.17375
 Alpha virt. eigenvalues --    0.17495   0.17700   0.17884   0.18522   0.18727
 Alpha virt. eigenvalues --    0.19484   0.19766   0.19912   0.20136   0.20507
 Alpha virt. eigenvalues --    0.20553   0.20705   0.20877   0.20922   0.21562
 Alpha virt. eigenvalues --    0.21868   0.22201   0.22510   0.22650   0.22880
 Alpha virt. eigenvalues --    0.23693   0.23879   0.23938   0.24184   0.24550
 Alpha virt. eigenvalues --    0.24755   0.24960   0.25496   0.25598   0.25682
 Alpha virt. eigenvalues --    0.25845   0.26195   0.26544   0.26624   0.26857
 Alpha virt. eigenvalues --    0.26992   0.27138   0.27218   0.27486   0.27642
 Alpha virt. eigenvalues --    0.27876   0.28243   0.28338   0.28589   0.28711
 Alpha virt. eigenvalues --    0.28800   0.29069   0.29107   0.29297   0.29663
 Alpha virt. eigenvalues --    0.29757   0.29914   0.30231   0.30273   0.30469
 Alpha virt. eigenvalues --    0.30863   0.31026   0.31283   0.31643   0.31651
 Alpha virt. eigenvalues --    0.31954   0.32157   0.32260   0.32659   0.32853
 Alpha virt. eigenvalues --    0.32959   0.33041   0.33138   0.33252   0.33616
 Alpha virt. eigenvalues --    0.34073   0.34308   0.34437   0.34642   0.34733
 Alpha virt. eigenvalues --    0.34968   0.35118   0.35262   0.35948   0.36194
 Alpha virt. eigenvalues --    0.36286   0.36502   0.36719   0.37307   0.37468
 Alpha virt. eigenvalues --    0.37760   0.38132   0.38328   0.38592   0.38726
 Alpha virt. eigenvalues --    0.39030   0.39336   0.39684   0.39796   0.39994
 Alpha virt. eigenvalues --    0.40267   0.40782   0.41089   0.41254   0.41519
 Alpha virt. eigenvalues --    0.41769   0.42068   0.42264   0.42659   0.43039
 Alpha virt. eigenvalues --    0.43238   0.43822   0.44055   0.44183   0.44370
 Alpha virt. eigenvalues --    0.45342   0.45456   0.45898   0.46440   0.46677
 Alpha virt. eigenvalues --    0.46711   0.47403   0.47417   0.47751   0.48165
 Alpha virt. eigenvalues --    0.48716   0.48922   0.49183   0.49904   0.50365
 Alpha virt. eigenvalues --    0.50532   0.50844   0.51125   0.51453   0.51747
 Alpha virt. eigenvalues --    0.51788   0.52507   0.52849   0.53124   0.53400
 Alpha virt. eigenvalues --    0.53762   0.54015   0.54497   0.55256   0.55417
 Alpha virt. eigenvalues --    0.55898   0.56158   0.56622   0.56788   0.57019
 Alpha virt. eigenvalues --    0.57264   0.57612   0.57857   0.57909   0.58429
 Alpha virt. eigenvalues --    0.58532   0.58745   0.58914   0.59457   0.59785
 Alpha virt. eigenvalues --    0.60073   0.60277   0.60838   0.61033   0.61645
 Alpha virt. eigenvalues --    0.61794   0.61991   0.62498   0.62547   0.62840
 Alpha virt. eigenvalues --    0.63163   0.63514   0.63546   0.63977   0.64123
 Alpha virt. eigenvalues --    0.64386   0.64686   0.64803   0.65209   0.65434
 Alpha virt. eigenvalues --    0.65575   0.65652   0.66047   0.66417   0.66505
 Alpha virt. eigenvalues --    0.66852   0.67171   0.67327   0.67418   0.67713
 Alpha virt. eigenvalues --    0.68092   0.68185   0.68294   0.68608   0.69046
 Alpha virt. eigenvalues --    0.69320   0.69433   0.69807   0.70049   0.70566
 Alpha virt. eigenvalues --    0.70685   0.70935   0.71279   0.71447   0.71712
 Alpha virt. eigenvalues --    0.72178   0.72261   0.72544   0.73157   0.73458
 Alpha virt. eigenvalues --    0.73903   0.74357   0.74582   0.75006   0.75235
 Alpha virt. eigenvalues --    0.75377   0.76045   0.76382   0.76619   0.76835
 Alpha virt. eigenvalues --    0.77101   0.77575   0.78036   0.78578   0.78895
 Alpha virt. eigenvalues --    0.79130   0.79780   0.79994   0.80220   0.80454
 Alpha virt. eigenvalues --    0.80739   0.81252   0.81397   0.81875   0.82161
 Alpha virt. eigenvalues --    0.82694   0.82764   0.83009   0.83285   0.83649
 Alpha virt. eigenvalues --    0.83720   0.84000   0.84251   0.84704   0.84829
 Alpha virt. eigenvalues --    0.85029   0.85581   0.85641   0.86164   0.86377
 Alpha virt. eigenvalues --    0.86648   0.87306   0.87562   0.87841   0.88388
 Alpha virt. eigenvalues --    0.88555   0.88862   0.89381   0.89750   0.90362
 Alpha virt. eigenvalues --    0.90441   0.91198   0.91365   0.91759   0.91895
 Alpha virt. eigenvalues --    0.92533   0.92975   0.93043   0.93949   0.94251
 Alpha virt. eigenvalues --    0.94381   0.95287   0.95502   0.95856   0.96534
 Alpha virt. eigenvalues --    0.97412   0.97514   0.98114   0.98855   0.99257
 Alpha virt. eigenvalues --    1.00093   1.01587   1.01759   1.03125   1.03762
 Alpha virt. eigenvalues --    1.04368   1.04663   1.05888   1.06098   1.06923
 Alpha virt. eigenvalues --    1.07256   1.08129   1.08363   1.09195   1.09656
 Alpha virt. eigenvalues --    1.09919   1.10596   1.10867   1.11229   1.12530
 Alpha virt. eigenvalues --    1.12764   1.13227   1.13885   1.14696   1.15194
 Alpha virt. eigenvalues --    1.15418   1.16009   1.16804   1.17513   1.17674
 Alpha virt. eigenvalues --    1.18781   1.19901   1.20149   1.21015   1.21411
 Alpha virt. eigenvalues --    1.22121   1.22731   1.23569   1.23689   1.24714
 Alpha virt. eigenvalues --    1.25423   1.26204   1.27285   1.28670   1.29096
 Alpha virt. eigenvalues --    1.29496   1.30107   1.30991   1.31117   1.31635
 Alpha virt. eigenvalues --    1.32321   1.32740   1.33183   1.34003   1.34150
 Alpha virt. eigenvalues --    1.34725   1.34999   1.36102   1.36283   1.37862
 Alpha virt. eigenvalues --    1.37948   1.38465   1.39222   1.39286   1.40028
 Alpha virt. eigenvalues --    1.40417   1.40701   1.40996   1.41638   1.41689
 Alpha virt. eigenvalues --    1.42023   1.42557   1.42801   1.43538   1.43903
 Alpha virt. eigenvalues --    1.44604   1.45228   1.45838   1.46182   1.46289
 Alpha virt. eigenvalues --    1.47023   1.47137   1.47706   1.48649   1.48818
 Alpha virt. eigenvalues --    1.50144   1.50290   1.50968   1.51360   1.51535
 Alpha virt. eigenvalues --    1.52069   1.52486   1.53163   1.53547   1.54031
 Alpha virt. eigenvalues --    1.54468   1.55128   1.55326   1.56084   1.56713
 Alpha virt. eigenvalues --    1.57188   1.57622   1.58372   1.58812   1.59195
 Alpha virt. eigenvalues --    1.59914   1.60645   1.61070   1.61794   1.62371
 Alpha virt. eigenvalues --    1.62711   1.63198   1.63315   1.64385   1.64789
 Alpha virt. eigenvalues --    1.65050   1.65206   1.65573   1.66226   1.66846
 Alpha virt. eigenvalues --    1.67029   1.67356   1.67697   1.68007   1.68767
 Alpha virt. eigenvalues --    1.69009   1.69501   1.70128   1.70544   1.71371
 Alpha virt. eigenvalues --    1.71834   1.72267   1.72734   1.73107   1.73679
 Alpha virt. eigenvalues --    1.74611   1.74643   1.75504   1.76381   1.76531
 Alpha virt. eigenvalues --    1.77118   1.77191   1.77753   1.77835   1.78531
 Alpha virt. eigenvalues --    1.78702   1.79125   1.79737   1.79949   1.80687
 Alpha virt. eigenvalues --    1.81432   1.81475   1.81764   1.82062   1.82762
 Alpha virt. eigenvalues --    1.82951   1.84201   1.84734   1.85059   1.85460
 Alpha virt. eigenvalues --    1.86664   1.86796   1.87115   1.87671   1.88457
 Alpha virt. eigenvalues --    1.88965   1.89389   1.90425   1.90759   1.91124
 Alpha virt. eigenvalues --    1.91272   1.92089   1.92362   1.92731   1.93459
 Alpha virt. eigenvalues --    1.94245   1.94571   1.95254   1.95543   1.96368
 Alpha virt. eigenvalues --    1.96685   1.97067   1.97557   1.98423   1.98957
 Alpha virt. eigenvalues --    1.99487   2.00053   2.00553   2.00951   2.01318
 Alpha virt. eigenvalues --    2.02299   2.03418   2.03685   2.04303   2.05049
 Alpha virt. eigenvalues --    2.05620   2.05842   2.06280   2.06540   2.07384
 Alpha virt. eigenvalues --    2.07680   2.08439   2.09079   2.09953   2.10278
 Alpha virt. eigenvalues --    2.10480   2.10958   2.11550   2.12030   2.12955
 Alpha virt. eigenvalues --    2.13914   2.13955   2.14991   2.15767   2.16437
 Alpha virt. eigenvalues --    2.17031   2.17483   2.17957   2.18569   2.19518
 Alpha virt. eigenvalues --    2.19930   2.20588   2.20777   2.20963   2.22688
 Alpha virt. eigenvalues --    2.22783   2.22850   2.24901   2.25059   2.25608
 Alpha virt. eigenvalues --    2.26419   2.28146   2.28348   2.29410   2.29771
 Alpha virt. eigenvalues --    2.30164   2.31061   2.32505   2.32721   2.33170
 Alpha virt. eigenvalues --    2.34450   2.34691   2.35604   2.36622   2.37562
 Alpha virt. eigenvalues --    2.38103   2.39462   2.40849   2.41668   2.42231
 Alpha virt. eigenvalues --    2.43501   2.44551   2.46396   2.46961   2.48531
 Alpha virt. eigenvalues --    2.49607   2.50447   2.51421   2.51708   2.57364
 Alpha virt. eigenvalues --    2.57602   2.58053   2.58892   2.59677   2.60616
 Alpha virt. eigenvalues --    2.62159   2.64790   2.66512   2.67847   2.68844
 Alpha virt. eigenvalues --    2.69724   2.70300   2.72146   2.73316   2.73924
 Alpha virt. eigenvalues --    2.75722   2.77283   2.78238   2.80184   2.80687
 Alpha virt. eigenvalues --    2.83869   2.85325   2.87781   2.88019   2.91448
 Alpha virt. eigenvalues --    2.92989   2.93661   2.95894   2.96679   2.98491
 Alpha virt. eigenvalues --    3.01190   3.04176   3.06586   3.09379   3.12977
 Alpha virt. eigenvalues --    3.21885   3.23758   3.28018   3.30689   3.32651
 Alpha virt. eigenvalues --    3.37629   3.39527   3.43948   3.45802   3.47764
 Alpha virt. eigenvalues --    3.50161   3.51992   3.57070   3.70336   3.74277
 Alpha virt. eigenvalues --    3.84727   3.87377   3.94957   4.10338   4.36607
 Alpha virt. eigenvalues --    4.38110   4.42241   4.77421   4.88877
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    4.367835  -3.153115   1.424257  -0.237301  -0.063568  -0.005011
     2  C   -3.153115  40.573386 -11.833855   1.275529   5.966129   0.096653
     3  C    1.424257 -11.833855  23.478758  -2.246740  -7.684991   0.972290
     4  H   -0.237301   1.275529  -2.246740   2.927115   1.001570  -0.166149
     5  C   -0.063568   5.966129  -7.684991   1.001570  21.110206  -2.292723
     6  H   -0.005011   0.096653   0.972290  -0.166149  -2.292723   2.750967
     7  C    0.155170  -8.017263   7.020858  -0.320597 -10.125498   1.007486
     8  H    0.002317   0.272851  -0.653001  -0.031158   1.242269  -0.197776
     9  C   -0.484132  -2.854966  -6.931575   0.068705   2.116560  -0.291666
    10  C   -0.048831  -0.747996  -0.664518  -0.030947   0.038635   0.031989
    11  C    0.753252  -7.762707   1.859954  -0.355117  -2.387016  -0.180241
    12  C    0.227276  -7.501173   1.327949  -0.208213  -2.221253   0.079393
    13  C   -0.056082  -0.734394  -0.539836  -0.020050   0.035067   0.020527
    14  C    0.029618  -0.557627   1.126029   0.019088  -1.399834  -0.007354
    15  C   -0.536794   3.072280  -0.038564   0.058194   0.523209   0.002486
    16  C    0.137169  -0.191320   0.496578   0.008017  -0.086052  -0.003632
    17  C    0.046132   0.473291  -0.133442  -0.006348   0.019494   0.001291
    18  C   -0.029864  -0.864311   0.333081   0.005459  -0.334780  -0.003653
    19  C    0.133883  -1.266826   0.013658   0.069096   0.285720   0.002558
    20  C   -0.018268  -0.146414  -0.414892   0.011625   0.125522   0.004811
    21  C    0.022348   0.538385   0.195058   0.002727   0.047921   0.001189
    22  C   -0.014492  -0.570014  -0.279173  -0.006153  -0.039600  -0.000278
    23  C   -0.419787  -1.339918   0.313766  -0.061788  -0.387909  -0.041612
    24  C   -0.158284  -0.256187  -0.340227  -0.012231  -0.148535  -0.002102
    25  C    0.049822   0.093643   0.294560   0.027093   0.159879   0.001526
    26  C    0.159365   0.418146  -0.486721   0.015703   0.368499   0.001418
    27  C   -0.005198  -0.390657   0.381587   0.014217  -0.281767  -0.002439
    28  C   -0.034922  -0.093366  -0.365778  -0.007078   0.327783  -0.009168
    29  C   -0.139673   0.704136   0.069471   0.029624  -0.269767   0.001690
    30  C    0.029504  -0.490525  -0.250900   0.017965   0.291227   0.003884
    31  H   -0.003896  -0.137855   0.092664   0.004440  -0.051717  -0.006539
    32  H    0.004300   0.000483  -0.008652  -0.000923   0.009991   0.001189
    33  H   -0.005736   0.000775  -0.007504  -0.000053   0.001392   0.000056
    34  H    0.002335   0.037014   0.008508   0.000015  -0.005345  -0.000062
    35  H   -0.003203  -0.013929  -0.001521   0.000148   0.000696   0.000014
    36  H   -0.001985   0.028502  -0.000365  -0.000036   0.000225   0.000003
    37  H   -0.001984  -0.005963   0.015094  -0.000923  -0.000793  -0.000023
    38  H    0.010283   0.001423  -0.014808   0.001556  -0.002559  -0.000096
    39  H    0.003950   0.011171  -0.004428  -0.003049   0.000562   0.000030
    40  H    0.002181   0.011664  -0.001360   0.000483  -0.007389   0.000400
    41  Br   0.003351   0.044768  -0.047447  -0.002851   0.014551   0.000516
    42  H   -0.030950   0.068978  -0.057706   0.009038  -0.020780  -0.000349
               7          8          9         10         11         12
     1  H    0.155170   0.002317  -0.484132  -0.048831   0.753252   0.227276
     2  C   -8.017263   0.272851  -2.854966  -0.747996  -7.762707  -7.501173
     3  C    7.020858  -0.653001  -6.931575  -0.664518   1.859954   1.327949
     4  H   -0.320597  -0.031158   0.068705  -0.030947  -0.355117  -0.208213
     5  C  -10.125498   1.242269   2.116560   0.038635  -2.387016  -2.221253
     6  H    1.007486  -0.197776  -0.291666   0.031989  -0.180241   0.079393
     7  C   34.389217  -4.118035  -7.350701  -3.608969  -7.016412   0.734987
     8  H   -4.118035   3.452414   1.866916   0.194821   0.432193  -0.046268
     9  C   -7.350701   1.866916  36.406435  -2.642090 -13.426099  -2.932860
    10  C   -3.608969   0.194821  -2.642090  29.828732  -4.984715   4.389120
    11  C   -7.016412   0.432193 -13.426099  -4.984715  60.059711 -10.553232
    12  C    0.734987  -0.046268  -2.932860   4.389120 -10.553232  55.607715
    13  C    0.559318  -0.031675   3.393011  -1.969127  -3.810810  -8.992279
    14  C    1.612051  -0.230827  -1.724896 -10.435608   3.182494  -6.670185
    15  C   -0.884146   0.016438  -0.968407  -0.982183  -5.899540  -7.087701
    16  C    0.035345   0.000308  -0.747700   0.444765  -0.232675  -4.115149
    17  C   -0.054150  -0.003054   1.305268  -3.035845  -0.695822   2.265610
    18  C    0.490050  -0.011793  -1.376110   1.260325  -1.406447  -3.487543
    19  C    0.119422  -0.001019   1.062816   0.130850  -1.836869  -1.877995
    20  C   -0.012702   0.000243   0.070306   0.060373  -0.519180  -0.125934
    21  C   -0.053050  -0.000293  -0.319953  -0.113552  -0.292050  -1.823464
    22  C    0.029929  -0.000120   0.524507  -0.297100  -0.643878   1.140834
    23  C    0.354021   0.019904  -0.377916   0.110247   2.282302  -1.057520
    24  C    0.009845  -0.000074   0.247349   0.058201   0.206246  -0.946067
    25  C   -0.045415  -0.000114  -0.185207  -0.080144  -0.294960   0.178028
    26  C   -0.266631  -0.000749  -0.250567  -0.047322  -0.234794   1.341256
    27  C    0.104380   0.002079  -0.151074   0.017915  -0.107000   0.391292
    28  C   -0.163806  -0.002405   0.338099   0.067117   0.410493  -0.260355
    29  C    0.211951  -0.004956  -0.227867   0.002092  -0.074238  -0.524083
    30  C   -0.591485   0.022095   0.702794  -0.053769   0.058749  -1.845797
    31  H    0.762522  -0.197610  -0.312733  -3.498263   0.004334  -0.629881
    32  H    0.002621   0.001646   0.153975   1.979730  -0.725176   0.607821
    33  H    0.002898  -0.000018   0.018668   0.008847  -0.058311  -0.310550
    34  H   -0.021701  -0.000830  -0.000483  -0.376337  -0.015706   0.743055
    35  H   -0.000399  -0.000014   0.000891  -0.000896   0.012593   0.015914
    36  H   -0.000217  -0.000019  -0.007792   0.000016  -0.002964  -0.093803
    37  H    0.000406   0.000021  -0.003825   0.001733  -0.026405   0.072988
    38  H    0.000406  -0.000032   0.003520  -0.001371   0.019752  -0.022009
    39  H    0.001756   0.000105  -0.000887   0.000665   0.017373  -0.010190
    40  H    0.000339  -0.000039   0.000963  -0.000107  -0.054867   0.014962
    41  Br  -0.034987   0.000335   0.054123   0.047427  -0.137338   0.075766
    42  H   -0.008227   0.006777   0.201607   0.031744  -0.443189   0.135150
              13         14         15         16         17         18
     1  H   -0.056082   0.029618  -0.536794   0.137169   0.046132  -0.029864
     2  C   -0.734394  -0.557627   3.072280  -0.191320   0.473291  -0.864311
     3  C   -0.539836   1.126029  -0.038564   0.496578  -0.133442   0.333081
     4  H   -0.020050   0.019088   0.058194   0.008017  -0.006348   0.005459
     5  C    0.035067  -1.399834   0.523209  -0.086052   0.019494  -0.334780
     6  H    0.020527  -0.007354   0.002486  -0.003632   0.001291  -0.003653
     7  C    0.559318   1.612051  -0.884146   0.035345  -0.054150   0.490050
     8  H   -0.031675  -0.230827   0.016438   0.000308  -0.003054  -0.011793
     9  C    3.393011  -1.724896  -0.968407  -0.747700   1.305268  -1.376110
    10  C   -1.969127 -10.435608  -0.982183   0.444765  -3.035845   1.260325
    11  C   -3.810810   3.182494  -5.899540  -0.232675  -0.695822  -1.406447
    12  C   -8.992279  -6.670185  -7.087701  -4.115149   2.265610  -3.487543
    13  C   27.617308  -2.879717  -2.777990  -0.296932   2.525971  -5.685173
    14  C   -2.879717  30.143238  -1.083337  -0.701349  -0.029888  -2.019791
    15  C   -2.777990  -1.083337  47.929071  -6.509797  -3.999066   1.839527
    16  C   -0.296932  -0.701349  -6.509797  29.262092  -7.048002   3.394877
    17  C    2.525971  -0.029888  -3.999066  -7.048002  35.119083 -16.116150
    18  C   -5.685173  -2.019791   1.839527   3.394877 -16.116150  34.253049
    19  C   -0.375295  -0.799878  -6.240055  -4.505057   0.167281  -1.460979
    20  C    0.351926  -0.149660  -2.745229   0.142795  -0.756442   0.784906
    21  C    0.961503  -0.046676   3.161536   3.724989  -1.136341  -2.691944
    22  C   -1.303173  -0.465106  -4.570717  -7.843905  -0.611125  -0.666062
    23  C    0.252426   0.020960  -5.599987   0.100330  -0.837544   0.221639
    24  C   -0.178044  -0.153934  -1.041633  -0.590828  -0.458965  -0.142722
    25  C    0.096666   0.074740  -0.247672   0.059521  -0.293064  -0.095853
    26  C   -0.026404   0.112300  -2.367578  -0.550207   0.238285  -0.104742
    27  C    0.020464  -0.034794  -1.510375   0.042461  -0.001629  -0.020832
    28  C   -0.028271  -0.042129   0.696747  -0.029992  -0.027572   0.004936
    29  C   -0.330934  -0.121688   0.909443   0.495064  -0.117212   0.051265
    30  C   -0.822823  -0.283750   3.042106  -0.082078  -0.270282   0.127331
    31  H    0.156778   2.511209   0.099324   0.002634   0.019996   0.019881
    32  H   -0.142966  -3.173039  -0.018670   0.070468  -0.242201   0.459543
    33  H   -0.280660   0.074335   0.340620   0.570647  -3.824940   2.758201
    34  H    0.508450  -0.141494  -0.368528  -0.445497   2.891534  -4.006672
    35  H   -0.020565   0.002246  -0.375325  -0.570850   0.157317   0.028144
    36  H    0.039175  -0.008011   0.456356   0.956355  -0.171131  -0.320780
    37  H    0.009094  -0.002185   0.019963   0.034416  -0.018131  -0.003359
    38  H   -0.002404   0.001567   0.058234   0.010007  -0.000046   0.000304
    39  H    0.001304  -0.000776   0.036544   0.000807   0.000698  -0.000676
    40  H    0.001416  -0.000427  -0.007695  -0.002696  -0.000874   0.001125
    41  Br   0.035051  -0.025442   0.024045  -0.007071  -0.001190   0.015749
    42  H    0.010356  -0.158335  -0.194965   0.108586   0.007477  -0.006361
              19         20         21         22         23         24
     1  H    0.133883  -0.018268   0.022348  -0.014492  -0.419787  -0.158284
     2  C   -1.266826  -0.146414   0.538385  -0.570014  -1.339918  -0.256187
     3  C    0.013658  -0.414892   0.195058  -0.279173   0.313766  -0.340227
     4  H    0.069096   0.011625   0.002727  -0.006153  -0.061788  -0.012231
     5  C    0.285720   0.125522   0.047921  -0.039600  -0.387909  -0.148535
     6  H    0.002558   0.004811   0.001189  -0.000278  -0.041612  -0.002102
     7  C    0.119422  -0.012702  -0.053050   0.029929   0.354021   0.009845
     8  H   -0.001019   0.000243  -0.000293  -0.000120   0.019904  -0.000074
     9  C    1.062816   0.070306  -0.319953   0.524507  -0.377916   0.247349
    10  C    0.130850   0.060373  -0.113552  -0.297100   0.110247   0.058201
    11  C   -1.836869  -0.519180  -0.292050  -0.643878   2.282302   0.206246
    12  C   -1.877995  -0.125934  -1.823464   1.140834  -1.057520  -0.946067
    13  C   -0.375295   0.351926   0.961503  -1.303173   0.252426  -0.178044
    14  C   -0.799878  -0.149660  -0.046676  -0.465106   0.020960  -0.153934
    15  C   -6.240055  -2.745229   3.161536  -4.570717  -5.599987  -1.041633
    16  C   -4.505057   0.142795   3.724989  -7.843905   0.100330  -0.590828
    17  C    0.167281  -0.756442  -1.136341  -0.611125  -0.837544  -0.458965
    18  C   -1.460979   0.784906  -2.691944  -0.666062   0.221639  -0.142722
    19  C   53.840638  -7.820557  -3.707618   2.334738 -11.206435  -6.925640
    20  C   -7.820557  26.226650  -6.545526   3.853120  -3.926941  -3.001774
    21  C   -3.707618  -6.545526  35.239974 -17.619709  -0.779483  -1.888095
    22  C    2.334738   3.853120 -17.619709  36.592202  -1.366150  -0.889472
    23  C  -11.206435  -3.926941  -0.779483  -1.366150  63.648455   3.034089
    24  C   -6.925640  -3.001774  -1.888095  -0.889472   3.034089  28.906124
    25  C    5.165237  -1.791262   1.213224  -2.422411  -5.435540  -9.546998
    26  C   -1.896287   2.335453  -1.061822   0.919268 -10.155317  -1.585722
    27  C   -0.449966  -0.363779   0.713541  -0.130194  -8.592416   3.591043
    28  C   -0.732215  -0.042808  -0.364411   0.032235  -2.450123  -1.728157
    29  C   -0.920866  -0.189738   0.183269  -0.004652  -1.492070   0.827426
    30  C   -5.524648  -0.448384  -1.219529   0.774105  -9.497892  -0.178125
    31  H   -0.027450  -0.001190  -0.000096   0.000296   0.015998   0.001152
    32  H    0.078341   0.008319  -0.002239  -0.012766  -0.023483  -0.001955
    33  H   -0.040373   0.038684  -0.266650  -0.001071   0.004384  -0.008814
    34  H    0.010724  -0.014113   0.021038   0.116182   0.001424   0.001632
    35  H    0.750541   0.954180  -4.300972   2.881523  -0.063330  -0.225061
    36  H   -0.257607  -0.407833   2.833077  -4.127734  -0.059326   0.118391
    37  H    0.490222  -0.165575   0.520443  -0.157746  -0.673174  -2.976484
    38  H   -0.646992   0.106576  -0.010122   0.002291  -0.057326   2.300301
    39  H    0.008562  -0.005616  -0.019836  -0.002902   0.749895  -0.426034
    40  H    0.061099   0.013481  -0.001391   0.000177  -0.243533   0.020840
    41  Br  -0.045142   0.005499  -0.003283   0.001563  -0.223546  -0.008778
    42  H   -0.249380  -0.047324  -0.036860   0.050147   0.861525   0.032090
              25         26         27         28         29         30
     1  H    0.049822   0.159365  -0.005198  -0.034922  -0.139673   0.029504
     2  C    0.093643   0.418146  -0.390657  -0.093366   0.704136  -0.490525
     3  C    0.294560  -0.486721   0.381587  -0.365778   0.069471  -0.250900
     4  H    0.027093   0.015703   0.014217  -0.007078   0.029624   0.017965
     5  C    0.159879   0.368499  -0.281767   0.327783  -0.269767   0.291227
     6  H    0.001526   0.001418  -0.002439  -0.009168   0.001690   0.003884
     7  C   -0.045415  -0.266631   0.104380  -0.163806   0.211951  -0.591485
     8  H   -0.000114  -0.000749   0.002079  -0.002405  -0.004956   0.022095
     9  C   -0.185207  -0.250567  -0.151074   0.338099  -0.227867   0.702794
    10  C   -0.080144  -0.047322   0.017915   0.067117   0.002092  -0.053769
    11  C   -0.294960  -0.234794  -0.107000   0.410493  -0.074238   0.058749
    12  C    0.178028   1.341256   0.391292  -0.260355  -0.524083  -1.845797
    13  C    0.096666  -0.026404   0.020464  -0.028271  -0.330934  -0.822823
    14  C    0.074740   0.112300  -0.034794  -0.042129  -0.121688  -0.283750
    15  C   -0.247672  -2.367578  -1.510375   0.696747   0.909443   3.042106
    16  C    0.059521  -0.550207   0.042461  -0.029992   0.495064  -0.082078
    17  C   -0.293064   0.238285  -0.001629  -0.027572  -0.117212  -0.270282
    18  C   -0.095853  -0.104742  -0.020832   0.004936   0.051265   0.127331
    19  C    5.165237  -1.896287  -0.449966  -0.732215  -0.920866  -5.524648
    20  C   -1.791262   2.335453  -0.363779  -0.042808  -0.189738  -0.448384
    21  C    1.213224  -1.061822   0.713541  -0.364411   0.183269  -1.219529
    22  C   -2.422411   0.919268  -0.130194   0.032235  -0.004652   0.774105
    23  C   -5.435540 -10.155317  -8.592416  -2.450123  -1.492070  -9.497892
    24  C   -9.546998  -1.585722   3.591043  -1.728157   0.827426  -0.178125
    25  C   29.227819  -3.524411  -4.767068   0.033714  -0.378019  -0.677475
    26  C   -3.524411  39.736734  -9.839373   2.347725  -7.837020  -3.868221
    27  C   -4.767068  -9.839373  44.633891 -14.255238   5.684683  -6.776636
    28  C    0.033714   2.347725 -14.255238  27.761707  -5.470792   0.605470
    29  C   -0.378019  -7.837020   5.684683  -5.470792  21.737716  -5.855846
    30  C   -0.677475  -3.868221  -6.776636   0.605470  -5.855846  38.890894
    31  H   -0.001111   0.004663   0.000980  -0.006554  -0.014504   0.002113
    32  H    0.001905  -0.004090  -0.000524   0.001011   0.011563  -0.010030
    33  H   -0.000712  -0.004768   0.000076  -0.000199  -0.000226   0.017415
    34  H   -0.000950   0.001603   0.000004  -0.000097  -0.000040  -0.009387
    35  H   -0.330949  -0.008365  -0.010807  -0.005118   0.004562   0.037620
    36  H    0.011464   0.013633  -0.000390   0.001277  -0.004203   0.008155
    37  H    1.802371   0.117067  -0.017241   0.005893  -0.002745   0.014630
    38  H   -3.344873  -0.483101   1.176421  -0.048002   0.118696  -0.152112
    39  H    0.060347   2.756422  -5.286711   1.796939  -1.137973   0.318297
    40  H    0.121542  -0.698890   1.395292  -3.137077   1.153712   0.541888
    41  Br  -0.016940   0.136983  -0.145692   0.358364  -0.651092   0.452509
    42  H   -0.075070  -0.688431   0.038711   0.265593   0.656344  -2.773364
              31         32         33         34         35         36
     1  H   -0.003896   0.004300  -0.005736   0.002335  -0.003203  -0.001985
     2  C   -0.137855   0.000483   0.000775   0.037014  -0.013929   0.028502
     3  C    0.092664  -0.008652  -0.007504   0.008508  -0.001521  -0.000365
     4  H    0.004440  -0.000923  -0.000053   0.000015   0.000148  -0.000036
     5  C   -0.051717   0.009991   0.001392  -0.005345   0.000696   0.000225
     6  H   -0.006539   0.001189   0.000056  -0.000062   0.000014   0.000003
     7  C    0.762522   0.002621   0.002898  -0.021701  -0.000399  -0.000217
     8  H   -0.197610   0.001646  -0.000018  -0.000830  -0.000014  -0.000019
     9  C   -0.312733   0.153975   0.018668  -0.000483   0.000891  -0.007792
    10  C   -3.498263   1.979730   0.008847  -0.376337  -0.000896   0.000016
    11  C    0.004334  -0.725176  -0.058311  -0.015706   0.012593  -0.002964
    12  C   -0.629881   0.607821  -0.310550   0.743055   0.015914  -0.093803
    13  C    0.156778  -0.142966  -0.280660   0.508450  -0.020565   0.039175
    14  C    2.511209  -3.173039   0.074335  -0.141494   0.002246  -0.008011
    15  C    0.099324  -0.018670   0.340620  -0.368528  -0.375325   0.456356
    16  C    0.002634   0.070468   0.570647  -0.445497  -0.570850   0.956355
    17  C    0.019996  -0.242201  -3.824940   2.891534   0.157317  -0.171131
    18  C    0.019881   0.459543   2.758201  -4.006672   0.028144  -0.320780
    19  C   -0.027450   0.078341  -0.040373   0.010724   0.750541  -0.257607
    20  C   -0.001190   0.008319   0.038684  -0.014113   0.954180  -0.407833
    21  C   -0.000096  -0.002239  -0.266650   0.021038  -4.300972   2.833077
    22  C    0.000296  -0.012766  -0.001071   0.116182   2.881523  -4.127734
    23  C    0.015998  -0.023483   0.004384   0.001424  -0.063330  -0.059326
    24  C    0.001152  -0.001955  -0.008814   0.001632  -0.225061   0.118391
    25  C   -0.001111   0.001905  -0.000712  -0.000950  -0.330949   0.011464
    26  C    0.004663  -0.004090  -0.004768   0.001603  -0.008365   0.013633
    27  C    0.000980  -0.000524   0.000076   0.000004  -0.010807  -0.000390
    28  C   -0.006554   0.001011  -0.000199  -0.000097  -0.005118   0.001277
    29  C   -0.014504   0.011563  -0.000226  -0.000040   0.004562  -0.004203
    30  C    0.002113  -0.010030   0.017415  -0.009387   0.037620   0.008155
    31  H    3.449556  -0.274043   0.001412   0.000606   0.000033   0.000011
    32  H   -0.274043   3.456292  -0.003956  -0.237937  -0.000107  -0.000124
    33  H    0.001412  -0.003956   3.450001  -0.241947   0.001031  -0.241573
    34  H    0.000606  -0.237937  -0.241947   3.550433   0.001294   0.002332
    35  H    0.000033  -0.000107   0.001031   0.001294   3.574034  -0.242709
    36  H    0.000011  -0.000124  -0.241573   0.002332  -0.242709   3.479705
    37  H   -0.000007   0.000008  -0.000600  -0.000089  -0.239457  -0.001353
    38  H    0.000027  -0.000001   0.000034   0.000041   0.004844   0.000776
    39  H   -0.000070   0.000020   0.000001  -0.000027  -0.001388   0.000054
    40  H    0.000159  -0.000026  -0.000014   0.000020   0.000036   0.000018
    41  Br   0.000528  -0.001286  -0.000063   0.000297  -0.000070   0.000040
    42  H    0.004806   0.002938  -0.001497  -0.001580   0.001505  -0.006345
              37         38         39         40         41         42
     1  H   -0.001984   0.010283   0.003950   0.002181   0.003351  -0.030950
     2  C   -0.005963   0.001423   0.011171   0.011664   0.044768   0.068978
     3  C    0.015094  -0.014808  -0.004428  -0.001360  -0.047447  -0.057706
     4  H   -0.000923   0.001556  -0.003049   0.000483  -0.002851   0.009038
     5  C   -0.000793  -0.002559   0.000562  -0.007389   0.014551  -0.020780
     6  H   -0.000023  -0.000096   0.000030   0.000400   0.000516  -0.000349
     7  C    0.000406   0.000406   0.001756   0.000339  -0.034987  -0.008227
     8  H    0.000021  -0.000032   0.000105  -0.000039   0.000335   0.006777
     9  C   -0.003825   0.003520  -0.000887   0.000963   0.054123   0.201607
    10  C    0.001733  -0.001371   0.000665  -0.000107   0.047427   0.031744
    11  C   -0.026405   0.019752   0.017373  -0.054867  -0.137338  -0.443189
    12  C    0.072988  -0.022009  -0.010190   0.014962   0.075766   0.135150
    13  C    0.009094  -0.002404   0.001304   0.001416   0.035051   0.010356
    14  C   -0.002185   0.001567  -0.000776  -0.000427  -0.025442  -0.158335
    15  C    0.019963   0.058234   0.036544  -0.007695   0.024045  -0.194965
    16  C    0.034416   0.010007   0.000807  -0.002696  -0.007071   0.108586
    17  C   -0.018131  -0.000046   0.000698  -0.000874  -0.001190   0.007477
    18  C   -0.003359   0.000304  -0.000676   0.001125   0.015749  -0.006361
    19  C    0.490222  -0.646992   0.008562   0.061099  -0.045142  -0.249380
    20  C   -0.165575   0.106576  -0.005616   0.013481   0.005499  -0.047324
    21  C    0.520443  -0.010122  -0.019836  -0.001391  -0.003283  -0.036860
    22  C   -0.157746   0.002291  -0.002902   0.000177   0.001563   0.050147
    23  C   -0.673174  -0.057326   0.749895  -0.243533  -0.223546   0.861525
    24  C   -2.976484   2.300301  -0.426034   0.020840  -0.008778   0.032090
    25  C    1.802371  -3.344873   0.060347   0.121542  -0.016940  -0.075070
    26  C    0.117067  -0.483101   2.756422  -0.698890   0.136983  -0.688431
    27  C   -0.017241   1.176421  -5.286711   1.395292  -0.145692   0.038711
    28  C    0.005893  -0.048002   1.796939  -3.137077   0.358364   0.265593
    29  C   -0.002745   0.118696  -1.137973   1.153712  -0.651092   0.656344
    30  C    0.014630  -0.152112   0.318297   0.541888   0.452509  -2.773364
    31  H   -0.000007   0.000027  -0.000070   0.000159   0.000528   0.004806
    32  H    0.000008  -0.000001   0.000020  -0.000026  -0.001286   0.002938
    33  H   -0.000600   0.000034   0.000001  -0.000014  -0.000063  -0.001497
    34  H   -0.000089   0.000041  -0.000027   0.000020   0.000297  -0.001580
    35  H   -0.239457   0.004844  -0.001388   0.000036  -0.000070   0.001505
    36  H   -0.001353   0.000776   0.000054   0.000018   0.000040  -0.006345
    37  H    3.433180  -0.284295   0.001911   0.000569   0.000044   0.003497
    38  H   -0.284295   3.442741  -0.207765  -0.005846  -0.000833  -0.001277
    39  H    0.001911  -0.207765   3.642044  -0.277098   0.009932  -0.000902
    40  H    0.000569  -0.005846  -0.277098   2.992927  -0.047043   0.002584
    41  Br   0.000044  -0.000833   0.009932  -0.047043  35.122180  -0.086014
    42  H    0.003497  -0.001277  -0.000902   0.002584  -0.086014   4.543164
 Mulliken charges:
               1
     1  H   -1.111274
     2  C    1.241176
     3  C   -0.416116
     4  H   -0.849704
     5  C    0.124768
     6  H   -0.771495
     7  C    1.089414
     8  H   -1.001854
     9  C    1.032992
    10  C    0.914348
    11  C    0.878310
    12  C   -0.005610
    13  C    0.709795
    14  C    0.437862
    15  C   -0.230169
    16  C    0.462558
    17  C    0.651726
    18  C    0.807205
    19  C    0.089763
    20  C    0.566672
    21  C    0.924746
    22  C    0.792586
    23  C    0.378698
    24  C    0.466213
    25  C    0.883119
    26  C    0.967008
    27  C    0.932763
    28  C    0.250528
    29  C   -1.082501
    30  C    1.724308
    31  H   -0.992604
    32  H   -0.967970
    33  H   -0.989243
    34  H   -1.009718
    35  H   -1.014129
    36  H   -0.993263
    37  H   -0.961192
    38  H   -0.973930
    39  H   -1.033059
    40  H   -0.851504
    41  Br   0.082486
    42  H   -1.153708
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.129902
     3  C   -1.265820
     5  C   -0.646727
     7  C    0.087560
     9  C    1.032992
    10  C   -0.078256
    11  C    0.878310
    12  C   -0.005610
    13  C    0.709795
    14  C   -0.530108
    15  C   -0.230169
    16  C    0.462558
    17  C   -0.337517
    18  C   -0.202513
    19  C    0.089763
    20  C    0.566672
    21  C   -0.089384
    22  C   -0.200677
    23  C    0.378698
    24  C   -0.494979
    25  C   -0.090811
    26  C    0.967008
    27  C   -0.100296
    28  C   -0.600976
    29  C   -1.082501
    30  C    0.570600
    41  Br   0.082486
 Electronic spatial extent (au):  <R**2>=           9166.7775
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4096    Y=              0.5693    Z=              0.7833  Tot=              1.7101
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -155.7021   YY=           -149.1070   ZZ=           -170.1687
   XY=             -2.3571   XZ=              8.1634   YZ=              8.9384
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.6238   YY=              9.2189   ZZ=            -11.8428
   XY=             -2.3571   XZ=              8.1634   YZ=              8.9384
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             59.2792  YYY=             18.9140  ZZZ=            -37.0746  XYY=             44.8405
  XXY=              7.4433  XXZ=            -19.4720  XZZ=             51.7949  YZZ=             -0.9315
  YYZ=            -17.3801  XYZ=            -17.7458
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5263.3828 YYYY=          -4523.8717 ZZZZ=          -1632.3189 XXXY=            -39.3153
 XXXZ=            -35.7386 YYYX=            -10.5705 YYYZ=            171.4168 ZZZX=           -118.3807
 ZZZY=             20.3633 XXYY=          -1602.8048 XXZZ=          -1201.3947 YYZZ=          -1123.3596
 XXYZ=             45.6820 YYXZ=            -11.8240 ZZXY=              8.8286
 N-N= 2.775636096689D+03 E-N=-1.401839624017D+04  KE= 3.563144299326D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Jul 19 04:54:17 2021, MaxMem=  5637144576 cpu:              28.9 elap:               4.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0002    0.0000      -24.1453  -24.1494       -9.3866   -9.3939
 2     24.1433   24.1494      -21.7052  -21.6963      -16.7367  -16.6940
 3      9.3875    9.3939      107.1666  107.1677       21.6831   21.6963
 4     21.7056   21.6963       -0.0003    0.0000        9.3814    9.3939
 5    -90.4308  -90.4738       -9.3822   -9.3939      -24.1346  -24.1494
 6    -21.6835  -21.6963       24.1337   24.1494       -0.0002    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       72.4487   72.4483      -28.1810  -28.1818
 2     65.0885   65.0889        0.0000    0.0000      -28.1826  -28.1818
 3     65.0893   65.0889       72.4480   72.4483        0.0000    0.0000
 4     72.4474   72.4483      -65.0900  -65.0889      -50.0819  -50.0819
 5     28.1842   28.1818      321.5032  321.5032       65.0878   65.0889
 6   -271.4213 -271.4213      -28.1795  -28.1818      -72.4493  -72.4483
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0245    0.0000       96.5554   96.5978       38.1739   37.5758
 2    -96.5940  -96.5978       87.0604   86.7852       67.0660   66.7759
 3    -37.8497  -37.5758     -428.7445 -428.6709      -87.1152  -86.7852
 4    -86.8516  -86.7852        0.0532    0.0000      -37.0749  -37.5758
 5    361.9829  361.8950       37.3809   37.5758       96.2843   96.5978
 6     86.9267   86.7852      -96.5239  -96.5978        0.2237    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1229    0.0000      308.4893  308.5092      168.3184  168.8053
 2   -309.2479 -308.5092      673.2309  673.3607      589.9602  591.0195
 3   -168.2411 -168.8053     -944.7968 -943.2943     -673.3505 -673.3607
 4   -673.7766 -673.3607       -0.8062    0.0000     -169.7345 -168.8053
 5    352.7497  352.2748      165.9901  168.8053      308.1163  308.5092
 6    673.7205  673.3607     -305.9011 -308.5092        1.8204    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -226.7709 -226.9273     -302.9864 -303.3475     -250.9390 -250.9285
 2   -442.3269 -442.2624     -131.1877 -130.7106     -251.9109 -250.9285
 3   -442.3299 -442.2624     -303.3171 -303.3475     -316.2878 -315.6292
 4   -172.8303 -172.6369      214.9976  215.3351      277.6368  278.6623
 5    -65.4244  -64.7007     -451.3029 -450.5360     -216.0588 -215.3351
 6    172.1250  171.8737       65.1037   64.7007      172.6428  172.6369
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      7.4472                10.5531                 7.8436
  Dep-P Fr= 1--      0.7024                 0.5405                 0.7222
  Dep-U Fr= 1--      0.8252                 0.7018                 0.8387
 Alpha2 Fr= 1--      0.0062                 0.0425                 0.0038
 Beta2  Fr= 1--      1.0242                 1.2343                 1.0964
 AlphaG Fr= 1--     -0.0972                -0.0360                 0.0265
 Gamma2 Fr= 1--     -6.7658                -5.4974                -5.9718
 Delta2 Fr= 1--     -2.6829                -0.4848                -2.9382
 Raman1 Fr= 1--      29.789                 42.212                 31.374
 ROA1   Fr= 1--    -735.373               -543.260               -667.310
 CID1   Fr= 1--     -24.686                -12.870                -21.269
 Raman2 Fr= 1--      12.290                 14.811                 13.156
 ROA2   Fr= 1--    -140.917               -128.058               -119.817
 CID2   Fr= 1--     -11.466                 -8.646                 -9.107
 Raman3 Fr= 1--      24.581                 29.623                 26.313
 ROA3   Fr= 1--    -735.373               -543.260               -667.310
 CID3   Fr= 1--     -29.916                -18.339                -25.361
 RC180  Fr= 1--       0.650                  0.404                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.7286                10.0580                 0.4540
  Dep-P Fr= 1--      0.7379                 0.7298                 0.7414
  Dep-U Fr= 1--      0.8492                 0.8438                 0.8515
 Alpha2 Fr= 1--      0.0006                 0.0035                 0.0001
 Beta2  Fr= 1--      0.3862                 1.4145                 0.0644
 AlphaG Fr= 1--     -0.0146                -0.0069                 0.0011
 Gamma2 Fr= 1--    -14.3664                 6.5926                -0.1967
 Delta2 Fr= 1--     -3.7527                 2.4480                -0.1990
 Raman1 Fr= 1--      10.914                 40.232                  1.816
 ROA1   Fr= 1--   -1499.262                711.227                -25.249
 CID1   Fr= 1--    -137.367                 17.678                -13.905
 Raman2 Fr= 1--       4.634                 16.974                  0.773
 ROA2   Fr= 1--    -314.773                138.639                 -3.128
 CID2   Fr= 1--     -67.927                  8.168                 -4.045
 Raman3 Fr= 1--       9.268                 33.948                  1.546
 ROA3   Fr= 1--   -1499.262                711.227                -25.249
 CID3   Fr= 1--    -161.767                 20.951                -16.329
 RC180  Fr= 1--       0.698                  0.688                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.4097                 4.8690                 3.9083
  Dep-P Fr= 1--      0.7318                 0.7168                 0.6287
  Dep-U Fr= 1--      0.8451                 0.8350                 0.7721
 Alpha2 Fr= 1--      0.0001                 0.0028                 0.0086
 Beta2  Fr= 1--      0.0577                 0.6776                 0.5029
 AlphaG Fr= 1--     -0.0095                 0.0271                -0.0856
 Gamma2 Fr= 1--     -1.3995                 1.4139                 0.4999
 Delta2 Fr= 1--     -0.6125                -0.6114                -0.8135
 Raman1 Fr= 1--       1.639                 19.476                 15.633
 ROA1   Fr= 1--    -153.949                116.164                 21.957
 CID1   Fr= 1--     -93.938                  5.965                  1.405
 Raman2 Fr= 1--       0.693                  8.132                  6.035
 ROA2   Fr= 1--     -28.687                 38.824                 18.505
 CID2   Fr= 1--     -41.424                  4.774                  3.066
 Raman3 Fr= 1--       1.385                 16.263                 12.070
 ROA3   Fr= 1--    -153.949                116.164                 21.957
 CID3   Fr= 1--    -111.151                  7.143                  1.819
 RC180  Fr= 1--       0.690                  0.670                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7059                 0.8889                 7.4827
  Dep-P Fr= 1--      0.5976                 0.2726                 0.1166
  Dep-U Fr= 1--      0.7481                 0.4284                 0.2088
 Alpha2 Fr= 1--      0.0020                 0.0099                 0.1258
 Beta2  Fr= 1--      0.0880                 0.0635                 0.2604
 AlphaG Fr= 1--     -0.0601                 0.1183                -0.3085
 Gamma2 Fr= 1--      0.5209                -0.2269                 8.7735
 Delta2 Fr= 1--     -0.3020                -1.1286                 0.7239
 Raman1 Fr= 1--       2.824                  3.556                 29.931
 ROA1   Fr= 1--      40.342                -57.896                865.423
 CID1   Fr= 1--      14.287                -16.282                 28.914
 Raman2 Fr= 1--       1.056                  0.762                  3.125
 ROA2   Fr= 1--      14.917                  3.583                204.774
 CID2   Fr= 1--      14.124                  4.704                 65.535
 Raman3 Fr= 1--       2.112                  1.523                  6.249
 ROA3   Fr= 1--      40.342                -57.896                865.423
 CID3   Fr= 1--      19.098                -38.010                138.484
 RC180  Fr= 1--       0.496                 -0.143                 -0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      5.7144                 3.4787                 3.6912
  Dep-P Fr= 1--      0.1689                 0.5501                 0.3029
  Dep-U Fr= 1--      0.2890                 0.7098                 0.4649
 Alpha2 Fr= 1--      0.0842                 0.0133                 0.0375
 Beta2  Fr= 1--      0.2753                 0.4115                 0.2860
 AlphaG Fr= 1--     -0.3243                -0.0474                -0.0257
 Gamma2 Fr= 1--      3.5065                 1.0569                 4.1922
 Delta2 Fr= 1--     -2.4426                 0.0094                 0.7394
 Raman1 Fr= 1--      22.857                 13.915                 14.765
 ROA1   Fr= 1--     258.460                101.767                426.109
 CID1   Fr= 1--      11.307                  7.314                 28.860
 Raman2 Fr= 1--       3.303                  4.938                  3.432
 ROA2   Fr= 1--     103.697                 25.291                 94.697
 CID2   Fr= 1--      31.395                  5.121                 27.591
 Raman3 Fr= 1--       6.606                  9.876                  6.864
 ROA3   Fr= 1--     258.460                101.767                426.109
 CID3   Fr= 1--      39.125                 10.304                 62.075
 RC180  Fr= 1--      -0.422                  0.420                 -0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--      8.8835                 3.0884                55.5437
  Dep-P Fr= 1--      0.3986                 0.5162                 0.0651
  Dep-U Fr= 1--      0.5700                 0.6809                 0.1222
 Alpha2 Fr= 1--      0.0661                 0.0141                 1.0583
 Beta2  Fr= 1--      0.8439                 0.3505                 1.1311
 AlphaG Fr= 1--      0.1395                -0.0473                -2.7914
 Gamma2 Fr= 1--      3.1838                 0.7308                24.8254
 Delta2 Fr= 1--     -1.2438                -1.6528                 6.0219
 Raman1 Fr= 1--      35.534                 12.354                222.175
 ROA1   Fr= 1--     265.843                 17.272               2575.934
 CID1   Fr= 1--       7.481                  1.398                 11.594
 Raman2 Fr= 1--      10.127                  4.206                 13.574
 ROA2   Fr= 1--      86.362                 30.762                547.634
 CID2   Fr= 1--       8.528                  7.314                 40.345
 Raman3 Fr= 1--      20.254                  8.412                 27.147
 ROA3   Fr= 1--     265.843                 17.272               2575.934
 CID3   Fr= 1--      13.126                  2.053                 94.887
 RC180  Fr= 1--       0.140                  0.362                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      7.4314                 2.1264                 2.7925
  Dep-P Fr= 1--      0.4133                 0.7155                 0.5980
  Dep-U Fr= 1--      0.5848                 0.8341                 0.7485
 Alpha2 Fr= 1--      0.0525                 0.0013                 0.0079
 Beta2  Fr= 1--      0.7243                 0.2956                 0.3483
 AlphaG Fr= 1--      0.0661                 0.0748                -0.0726
 Gamma2 Fr= 1--     -1.2664                 0.1137                -3.6145
 Delta2 Fr= 1--     -1.2482                -0.3332                -2.4615
 Raman1 Fr= 1--      29.726                  8.506                 11.170
 ROA1   Fr= 1--    -161.514                  0.250               -425.755
 CID1   Fr= 1--      -5.433                  0.029                -38.115
 Raman2 Fr= 1--       8.692                  3.547                  4.180
 ROA2   Fr= 1--     -20.407                  5.394                -67.056
 CID2   Fr= 1--      -2.348                  1.520                -16.041
 Raman3 Fr= 1--      17.384                  7.095                  8.360
 ROA3   Fr= 1--    -161.514                  0.250               -425.755
 CID3   Fr= 1--      -9.291                  0.035                -50.925
 RC180  Fr= 1--       0.170                  0.668                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      2.8756                 3.5976                 0.5660
  Dep-P Fr= 1--      0.1766                 0.5873                 0.4448
  Dep-U Fr= 1--      0.3002                 0.7400                 0.6157
 Alpha2 Fr= 1--      0.0415                 0.0109                 0.0035
 Beta2  Fr= 1--      0.1439                 0.4437                 0.0581
 AlphaG Fr= 1--     -0.0757                 0.0105                -0.0266
 Gamma2 Fr= 1--      1.8565                -0.4207                -0.4021
 Delta2 Fr= 1--     -0.5172                -1.8580                -0.2481
 Raman1 Fr= 1--      11.502                 14.391                  2.264
 ROA1   Fr= 1--     161.674                -99.844                -46.541
 CID1   Fr= 1--      14.056                 -6.938                -20.558
 Raman2 Fr= 1--       1.726                  5.325                  0.697
 ROA2   Fr= 1--      48.693                  4.767                 -7.665
 CID2   Fr= 1--      28.208                  0.895                -10.999
 Raman3 Fr= 1--       3.452                 10.649                  1.394
 ROA3   Fr= 1--     161.674                -99.844                -46.541
 CID3   Fr= 1--      46.828                 -9.376                -33.390
 RC180  Fr= 1--      -0.400                  0.480                  0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      3.9736                 9.2166                 1.0237
  Dep-P Fr= 1--      0.1120                 0.0716                 0.5735
  Dep-U Fr= 1--      0.2014                 0.1336                 0.7289
 Alpha2 Fr= 1--      0.0676                 0.1729                 0.0034
 Beta2  Fr= 1--      0.1334                 0.2052                 0.1244
 AlphaG Fr= 1--     -0.3225                -0.0581                 0.0651
 Gamma2 Fr= 1--      0.9121                 2.9517                -1.6007
 Delta2 Fr= 1--      0.9072                 0.2010                -0.2538
 Raman1 Fr= 1--      15.894                 36.866                  4.095
 ROA1   Fr= 1--     116.589                289.793               -161.786
 CID1   Fr= 1--       7.335                  7.861                -39.512
 Raman2 Fr= 1--       1.601                  2.462                  1.492
 ROA2   Fr= 1--      14.632                 69.232                -36.385
 CID2   Fr= 1--       9.141                 28.116                -24.382
 Raman3 Fr= 1--       3.201                  4.925                  2.985
 ROA3   Fr= 1--     116.589                289.793               -161.786
 CID3   Fr= 1--      36.420                 58.845                -54.206
 RC180  Fr= 1--      -0.597                 -0.733                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      9.4244                 4.6066                 4.3469
  Dep-P Fr= 1--      0.2019                 0.1195                 0.2029
  Dep-U Fr= 1--      0.3360                 0.2135                 0.3374
 Alpha2 Fr= 1--      0.1273                 0.0769                 0.0586
 Beta2  Fr= 1--      0.5277                 0.1639                 0.2444
 AlphaG Fr= 1--     -0.1259                -1.4306                -0.5032
 Gamma2 Fr= 1--      1.1290                 0.2943                 1.7492
 Delta2 Fr= 1--      0.4442                 1.1281                 0.6823
 Raman1 Fr= 1--      37.698                 18.426                 17.388
 ROA1   Fr= 1--     122.598                 64.351                189.757
 CID1   Fr= 1--       3.252                  3.492                 10.913
 Raman2 Fr= 1--       6.332                  1.967                  2.933
 ROA2   Fr= 1--      23.542                 -1.963                 36.523
 CID2   Fr= 1--       3.718                 -0.998                 12.452
 Raman3 Fr= 1--      12.665                  3.934                  5.866
 ROA3   Fr= 1--     122.598                 64.351                189.757
 CID3   Fr= 1--       9.680                 16.360                 32.348
 RC180  Fr= 1--      -0.328                 -0.573                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      5.8484                 0.7651                 1.1920
  Dep-P Fr= 1--      0.1443                 0.5363                 0.3454
  Dep-U Fr= 1--      0.2522                 0.6982                 0.5135
 Alpha2 Fr= 1--      0.0917                 0.0032                 0.0106
 Beta2  Fr= 1--      0.2458                 0.0890                 0.1020
 AlphaG Fr= 1--     -0.3699                -0.0052                -0.0352
 Gamma2 Fr= 1--      2.5362                 0.0251                -2.7965
 Delta2 Fr= 1--     -0.1184                -0.2574                 0.0548
 Raman1 Fr= 1--      23.393                  3.061                  4.768
 ROA1   Fr= 1--     239.691                 -5.824               -266.707
 CID1   Fr= 1--      10.246                 -1.903                -55.937
 Raman2 Fr= 1--       2.950                  1.068                  1.224
 ROA2   Fr= 1--      61.816                  2.663                -67.553
 CID2   Fr= 1--      20.954                  2.492                -55.187
 Raman3 Fr= 1--       5.900                  2.137                  2.448
 ROA3   Fr= 1--     239.691                 -5.824               -266.707
 CID3   Fr= 1--      40.623                 -2.726               -108.942
 RC180  Fr= 1--      -0.496                  0.396                  0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.3372                51.4196                 5.0693
  Dep-P Fr= 1--      0.4949                 0.0603                 0.0735
  Dep-U Fr= 1--      0.6621                 0.1137                 0.1370
 Alpha2 Fr= 1--      0.0017                 0.9911                 0.0946
 Beta2  Fr= 1--      0.0372                 0.9746                 0.1157
 AlphaG Fr= 1--      0.0075                -2.1691                -0.3109
 Gamma2 Fr= 1--     -0.0043                11.9251                -0.6507
 Delta2 Fr= 1--     -0.0889                 0.0205                -1.1456
 Raman1 Fr= 1--       1.349                205.678                 20.277
 ROA1   Fr= 1--      -3.256               1145.467                -99.129
 CID1   Fr= 1--      -2.414                  5.569                 -4.889
 Raman2 Fr= 1--       0.447                 11.695                  1.389
 ROA2   Fr= 1--       0.608                286.039                 -6.453
 CID2   Fr= 1--       1.362                 24.459                 -4.647
 Raman3 Fr= 1--       0.893                 23.390                  2.778
 ROA3   Fr= 1--      -3.256               1145.467                -99.129
 CID3   Fr= 1--      -3.646                 48.974                -35.688
 RC180  Fr= 1--       0.324                 -0.773                 -0.726
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      0.9897                 4.2665                 5.1502
  Dep-P Fr= 1--      0.4129                 0.6471                 0.7427
  Dep-U Fr= 1--      0.5845                 0.7858                 0.8524
 Alpha2 Fr= 1--      0.0070                 0.0079                 0.0006
 Beta2  Fr= 1--      0.0964                 0.5587                 0.7317
 AlphaG Fr= 1--     -0.0563                -0.0076                -0.0386
 Gamma2 Fr= 1--     -5.6696                -2.5646               -12.4020
 Delta2 Fr= 1--      0.1317                 0.6985                -0.9242
 Raman1 Fr= 1--       3.959                 17.066                 20.601
 ROA1   Fr= 1--    -540.066               -223.847              -1220.161
 CID1   Fr= 1--    -136.423                -13.117                -59.229
 Raman2 Fr= 1--       1.157                  6.705                  8.780
 ROA2   Fr= 1--    -137.123                -67.138               -290.254
 CID2   Fr= 1--    -118.523                -10.013                -33.059
 Raman3 Fr= 1--       2.314                 13.410                 17.560
 ROA3   Fr= 1--    -540.066               -223.847              -1220.161
 CID3   Fr= 1--    -233.405                -16.693                -69.487
 RC180  Fr= 1--       0.169                  0.572                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      3.5631                 1.1510                 1.0838
  Dep-P Fr= 1--      0.5488                 0.5200                 0.5277
  Dep-U Fr= 1--      0.7086                 0.6842                 0.6908
 Alpha2 Fr= 1--      0.0137                 0.0052                 0.0047
 Beta2  Fr= 1--      0.4208                 0.1312                 0.1248
 AlphaG Fr= 1--     -0.2006                -0.0655                 0.0190
 Gamma2 Fr= 1--    -10.0713                -0.4251                -4.3697
 Delta2 Fr= 1--     -1.7913                 0.0291                -0.3356
 Raman1 Fr= 1--      14.252                  4.604                  4.335
 ROA1   Fr= 1--   -1024.166                -39.879               -430.233
 CID1   Fr= 1--     -71.859                 -8.662                -99.243
 Raman2 Fr= 1--       5.050                  1.575                  1.497
 ROA2   Fr= 1--    -227.380                -10.435               -102.189
 CID2   Fr= 1--     -45.026                 -6.626                -68.242
 Raman3 Fr= 1--      10.100                  3.150                  2.995
 ROA3   Fr= 1--   -1024.166                -39.879               -430.233
 CID3   Fr= 1--    -101.403                -12.661               -143.655
 RC180  Fr= 1--       0.417                  0.368                  0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      4.5738                 1.2309                 1.1351
  Dep-P Fr= 1--      0.6048                 0.7341                 0.6981
  Dep-U Fr= 1--      0.7537                 0.8467                 0.8222
 Alpha2 Fr= 1--      0.0123                 0.0003                 0.0010
 Beta2  Fr= 1--      0.5746                 0.1737                 0.1555
 AlphaG Fr= 1--      0.1109                -0.0381                 0.0019
 Gamma2 Fr= 1--     -2.4095                -4.5657                -3.6853
 Delta2 Fr= 1--     -3.3402                 0.1746                -0.4587
 Raman1 Fr= 1--      18.295                  4.923                  4.540
 ROA1   Fr= 1--    -338.201               -432.717               -368.468
 CID1   Fr= 1--     -18.486                -87.889                -81.153
 Raman2 Fr= 1--       6.895                  2.084                  1.867
 ROA2   Fr= 1--     -31.107               -110.972                -84.778
 CID2   Fr= 1--      -4.512                -53.242                -45.419
 Raman3 Fr= 1--      13.789                  4.169                  3.733
 ROA3   Fr= 1--    -338.201               -432.717               -368.468
 CID3   Fr= 1--     -24.526               -103.803                -98.701
 RC180  Fr= 1--       0.507                  0.693                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      2.9325                 3.6324                 1.4491
  Dep-P Fr= 1--      0.7499                 0.1428                 0.3083
  Dep-U Fr= 1--      0.8571                 0.2499                 0.4713
 Alpha2 Fr= 1--      0.0000                 0.0572                 0.0145
 Beta2  Fr= 1--      0.4189                 0.1513                 0.1138
 AlphaG Fr= 1--     -0.0003                 0.0129                 0.0341
 Gamma2 Fr= 1--     -5.8715                 2.6872                 1.1984
 Delta2 Fr= 1--     -9.7101                 0.3519                -1.1571
 Raman1 Fr= 1--      11.730                 14.530                  5.796
 ROA1   Fr= 1--    -874.388                269.237                 78.018
 CID1   Fr= 1--     -74.544                 18.530                 13.460
 Raman2 Fr= 1--       5.027                  1.815                  1.366
 ROA2   Fr= 1--     -63.235                 61.679                 38.019
 CID2   Fr= 1--     -12.579                 33.975                 27.833
 Raman3 Fr= 1--      10.054                  3.631                  2.732
 ROA3   Fr= 1--    -874.388                269.237                 78.018
 CID3   Fr= 1--     -86.972                 74.152                 28.558
 RC180  Fr= 1--       0.714                 -0.500                 -0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     13.5253                 5.3292                 0.9836
  Dep-P Fr= 1--      0.0619                 0.1149                 0.5393
  Dep-U Fr= 1--      0.1166                 0.2061                 0.7007
 Alpha2 Fr= 1--      0.2597                 0.0900                 0.0040
 Beta2  Fr= 1--      0.2628                 0.1830                 0.1149
 AlphaG Fr= 1--      0.1529                 0.1133                -0.0226
 Gamma2 Fr= 1--     -4.5888                 1.2177                -0.8738
 Delta2 Fr= 1--     -3.0006                 0.3003                -1.1558
 Raman1 Fr= 1--      54.101                 21.317                  3.934
 ROA1   Fr= 1--    -536.543                126.514               -120.868
 CID1   Fr= 1--      -9.917                  5.935                -30.721
 Raman2 Fr= 1--       3.154                  2.196                  1.378
 ROA2   Fr= 1--     -86.126                 26.823                -11.724
 CID2   Fr= 1--     -27.310                 12.213                 -8.505
 Raman3 Fr= 1--       6.307                  4.392                  2.757
 ROA3   Fr= 1--    -536.543                126.514               -120.868
 CID3   Fr= 1--     -85.067                 28.803                -43.842
 RC180  Fr= 1--      -0.767                 -0.588                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.2733                46.3034                15.0401
  Dep-P Fr= 1--      0.7495                 0.0802                 0.1014
  Dep-U Fr= 1--      0.8568                 0.1485                 0.1841
 Alpha2 Fr= 1--      0.0000                 0.8506                 0.2624
 Beta2  Fr= 1--      0.0390                 1.1463                 0.4615
 AlphaG Fr= 1--      0.0016                 2.7896                 1.4069
 Gamma2 Fr= 1--      0.8261               -11.3901                -4.0023
 Delta2 Fr= 1--      0.0409                -3.7725                 2.5205
 Raman1 Fr= 1--       1.093                185.214                 60.160
 ROA1   Fr= 1--      80.616              -1214.171               -303.567
 CID1   Fr= 1--      73.733                 -6.556                 -5.046
 Raman2 Fr= 1--       0.468                 13.756                  5.539
 ROA2   Fr= 1--      19.500               -243.183               -116.219
 CID2   Fr= 1--      41.631                -17.678                -20.984
 Raman3 Fr= 1--       0.937                 27.512                 11.077
 ROA3   Fr= 1--      80.616              -1214.171               -303.567
 CID3   Fr= 1--      86.054                -44.132                -27.405
 RC180  Fr= 1--       0.714                 -0.703                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      4.6247                12.8096                 7.1725
  Dep-P Fr= 1--      0.6962                 0.2363                 0.5202
  Dep-U Fr= 1--      0.8209                 0.3823                 0.6844
 Alpha2 Fr= 1--      0.0043                 0.1577                 0.0321
 Beta2  Fr= 1--      0.6327                 0.8161                 0.8182
 AlphaG Fr= 1--      0.0093                -1.2918                -0.3023
 Gamma2 Fr= 1--     -2.6138               -21.6048                -0.5381
 Delta2 Fr= 1--      0.4952                -7.1962                 0.1762
 Raman1 Fr= 1--      18.499                 51.238                 28.690
 ROA1   Fr= 1--    -235.079              -2304.342                -46.015
 CID1   Fr= 1--     -12.708                -44.973                 -1.604
 Raman2 Fr= 1--       7.593                  9.793                  9.818
 ROA2   Fr= 1--     -66.693               -460.946                -14.323
 CID2   Fr= 1--      -8.784                -47.068                 -1.459
 Raman3 Fr= 1--      15.185                 19.586                 19.636
 ROA3   Fr= 1--    -235.079              -2304.342                -46.015
 CID3   Fr= 1--     -15.481               -117.651                 -2.343
 RC180  Fr= 1--       0.642                 -0.235                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      1.8892                 1.8104                 1.9597
  Dep-P Fr= 1--      0.6664                 0.6615                 0.4685
  Dep-U Fr= 1--      0.7998                 0.7963                 0.6381
 Alpha2 Fr= 1--      0.0028                 0.0029                 0.0111
 Beta2  Fr= 1--      0.2518                 0.2403                 0.2084
 AlphaG Fr= 1--      0.0454                 0.0163                 0.0283
 Gamma2 Fr= 1--      5.1570                 6.0533               -10.5242
 Delta2 Fr= 1--     -0.7661                 2.7444                 1.9355
 Raman1 Fr= 1--       7.557                  7.241                  7.839
 ROA1   Fr= 1--     470.558                668.940               -948.386
 CID1   Fr= 1--      62.269                 92.377               -120.989
 Raman2 Fr= 1--       3.022                  2.883                  2.501
 ROA2   Fr= 1--     129.898                123.325               -268.064
 CID2   Fr= 1--      42.983                 42.776               -107.185
 Raman3 Fr= 1--       6.044                  5.766                  5.002
 ROA3   Fr= 1--     470.558                668.940               -948.386
 CID3   Fr= 1--      77.854                116.013               -189.604
 RC180  Fr= 1--       0.600                  0.593                  0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      0.9780                 2.0043                12.3291
  Dep-P Fr= 1--      0.6665                 0.3401                 0.5830
  Dep-U Fr= 1--      0.7998                 0.5076                 0.7365
 Alpha2 Fr= 1--      0.0015                 0.0182                 0.0386
 Beta2  Fr= 1--      0.1304                 0.1696                 1.5135
 AlphaG Fr= 1--     -0.0110                -0.3424                 0.0780
 Gamma2 Fr= 1--     -0.2241                -4.3689               -19.9952
 Delta2 Fr= 1--      0.6529                 0.6042                 0.0057
 Raman1 Fr= 1--       3.912                  8.017                 49.316
 ROA1   Fr= 1--      -0.626               -400.080              -1919.359
 CID1   Fr= 1--      -0.160                -49.902                -38.919
 Raman2 Fr= 1--       1.565                  2.035                 18.162
 ROA2   Fr= 1--     -10.602               -109.687               -479.930
 CID2   Fr= 1--      -6.777                -53.910                -26.425
 Raman3 Fr= 1--       3.129                  4.069                 36.323
 ROA3   Fr= 1--      -0.626               -400.080              -1919.359
 CID3   Fr= 1--      -0.200                -98.317                -52.841
 RC180  Fr= 1--       0.600                  0.015                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     20.5705                50.9352                67.7903
  Dep-P Fr= 1--      0.1813                 0.0889                 0.1533
  Dep-U Fr= 1--      0.3069                 0.1632                 0.2659
 Alpha2 Fr= 1--      0.2934                 0.9163                 1.0391
 Beta2  Fr= 1--      1.0523                 1.3858                 3.0043
 AlphaG Fr= 1--     -1.7428                 4.2124                -1.1688
 Gamma2 Fr= 1--     -3.3053               -16.9902               -13.3480
 Delta2 Fr= 1--     -0.6302                 3.8916                 0.8557
 Raman1 Fr= 1--      82.282                203.741                271.161
 ROA1   Fr= 1--    -337.471              -1506.528              -1254.023
 CID1   Fr= 1--      -4.101                 -7.394                 -4.625
 Raman2 Fr= 1--      12.628                 16.630                 36.051
 ROA2   Fr= 1--     -74.285               -438.898               -327.197
 CID2   Fr= 1--      -5.883                -26.393                 -9.076
 Raman3 Fr= 1--      25.256                 33.259                 72.103
 ROA3   Fr= 1--    -337.471              -1506.528              -1254.023
 CID3   Fr= 1--     -13.362                -45.297                -17.392
 RC180  Fr= 1--      -0.386                 -0.674                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     24.4879                 1.2119                 9.9522
  Dep-P Fr= 1--      0.1186                 0.4500                 0.7476
  Dep-U Fr= 1--      0.2121                 0.6207                 0.8556
 Alpha2 Fr= 1--      0.4095                 0.0074                 0.0004
 Beta2  Fr= 1--      0.8656                 0.1254                 1.4192
 AlphaG Fr= 1--     -0.0228                -0.0613                -0.0063
 Gamma2 Fr= 1--      8.4766                 1.0750               -13.2863
 Delta2 Fr= 1--      4.0300                 0.1991                -0.1054
 Raman1 Fr= 1--      97.951                  4.848                 39.809
 ROA1   Fr= 1--     942.710                109.573              -1278.857
 CID1   Fr= 1--       9.624                 22.603                -32.125
 Raman2 Fr= 1--      10.387                  1.504                 17.030
 ROA2   Fr= 1--     171.198                 24.207               -318.028
 CID2   Fr= 1--      16.481                 16.090                -18.674
 Raman3 Fr= 1--      20.775                  3.009                 34.060
 ROA3   Fr= 1--     942.710                109.573              -1278.857
 CID3   Fr= 1--      45.377                 36.416                -37.547
 RC180  Fr= 1--      -0.576                  0.241                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      3.8180                17.5883                14.2262
  Dep-P Fr= 1--      0.5587                 0.1233                 0.2427
  Dep-U Fr= 1--      0.7169                 0.2195                 0.3907
 Alpha2 Fr= 1--      0.0139                 0.2908                 0.1721
 Beta2  Fr= 1--      0.4562                 0.6435                 0.9263
 AlphaG Fr= 1--      0.0123                -0.8654                -0.5659
 Gamma2 Fr= 1--     -3.9412                 3.8782                -3.3427
 Delta2 Fr= 1--      0.6820                 0.5440                 0.1002
 Raman1 Fr= 1--      15.272                 70.353                 56.905
 ROA1   Fr= 1--    -356.536                389.718               -317.689
 CID1   Fr= 1--     -23.346                  5.539                 -5.583
 Raman2 Fr= 1--       5.474                  7.722                 11.115
 ROA2   Fr= 1--    -100.045                 88.726                -81.026
 CID2   Fr= 1--     -18.275                 11.491                 -7.290
 Raman3 Fr= 1--      10.949                 15.443                 22.230
 ROA3   Fr= 1--    -356.536                389.718               -317.689
 CID3   Fr= 1--     -32.565                 25.236                -14.291
 RC180  Fr= 1--       0.434                 -0.561                 -0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      7.6339                26.8038               200.0192
  Dep-P Fr= 1--      0.3174                 0.1540                 0.0819
  Dep-U Fr= 1--      0.4819                 0.2670                 0.1513
 Alpha2 Fr= 1--      0.0743                 0.4101                 3.6602
 Beta2  Fr= 1--      0.6131                 1.1926                 5.0444
 AlphaG Fr= 1--     -0.0735                -0.2838                -1.5933
 Gamma2 Fr= 1--     -0.3586                 1.2729                57.6240
 Delta2 Fr= 1--      2.0832                -6.4342               -12.1726
 Raman1 Fr= 1--      30.536                107.215                800.077
 ROA1   Fr= 1--      32.235                -83.695               5142.380
 CID1   Fr= 1--       1.056                 -0.781                  6.427
 Raman2 Fr= 1--       7.358                 14.312                 60.533
 ROA2   Fr= 1--     -25.272                 82.023               1480.356
 CID2   Fr= 1--      -3.435                  5.731                 24.456
 Raman3 Fr= 1--      14.715                 28.623                121.065
 ROA3   Fr= 1--      32.235                -83.695               5142.380
 CID3   Fr= 1--       2.191                 -2.924                 42.476
 RC180  Fr= 1--      -0.036                 -0.466                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--    104.4878                76.6366                 7.2269
  Dep-P Fr= 1--      0.2841                 0.2118                 0.7465
  Dep-U Fr= 1--      0.4425                 0.3496                 0.8549
 Alpha2 Fr= 1--      1.1233                 1.0084                 0.0004
 Beta2  Fr= 1--      7.7058                 4.4652                 1.0297
 AlphaG Fr= 1--     -2.0370                -2.9514                 0.0081
 Gamma2 Fr= 1--    -10.7011                 1.3340               -35.1113
 Delta2 Fr= 1--    -14.1440                -3.9517                -3.1890
 Raman1 Fr= 1--     417.951                306.546                 28.908
 ROA1   Fr= 1--   -1479.916                  1.604              -3472.729
 CID1   Fr= 1--      -3.541                  0.005               -120.132
 Raman2 Fr= 1--      92.470                 53.582                 12.356
 ROA2   Fr= 1--    -143.676                 63.629               -817.158
 CID2   Fr= 1--      -1.554                  1.187                -66.133
 Raman3 Fr= 1--     184.940                107.165                 24.712
 ROA3   Fr= 1--   -1479.916                  1.604              -3472.729
 CID3   Fr= 1--      -8.002                  0.015               -140.525
 RC180  Fr= 1--      -0.115                 -0.301                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--     99.4596                 9.9644                 3.0937
  Dep-P Fr= 1--      0.1144                 0.6833                 0.3396
  Dep-U Fr= 1--      0.2053                 0.8119                 0.5070
 Alpha2 Fr= 1--      1.6808                 0.0117                 0.0281
 Beta2  Fr= 1--      3.4036                 1.3483                 0.2614
 AlphaG Fr= 1--      2.9442                -0.0456                 0.3025
 Gamma2 Fr= 1--    -34.5425               -15.1681                -0.2678
 Delta2 Fr= 1--    -15.5736               -13.2053                 1.9652
 Raman1 Fr= 1--     397.839                 39.857                 12.375
 ROA1   Fr= 1--   -3814.435              -1878.711                 37.172
 CID1   Fr= 1--      -9.588                -47.136                  3.004
 Raman2 Fr= 1--      40.843                 16.180                  3.137
 ROA2   Fr= 1--    -704.432               -258.393                -22.150
 CID2   Fr= 1--     -17.247                -15.970                 -7.061
 Raman3 Fr= 1--      81.686                 32.360                  6.274
 ROA3   Fr= 1--   -3814.435              -1878.711                 37.172
 CID3   Fr= 1--     -46.696                -58.057                  5.925
 RC180  Fr= 1--      -0.589                  0.624                  0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      5.7649               157.5239               108.4144
  Dep-P Fr= 1--      0.2140                 0.6330                 0.6390
  Dep-U Fr= 1--      0.3526                 0.7753                 0.7797
 Alpha2 Fr= 1--      0.0754                 0.3343                 0.2176
 Beta2  Fr= 1--      0.3388                20.3545                14.0889
 AlphaG Fr= 1--     -0.0320                -5.0500                -3.7841
 Gamma2 Fr= 1--      6.8017              -408.5298              -247.3719
 Delta2 Fr= 1--     -2.1570               -58.1294               -30.4364
 Raman1 Fr= 1--      23.059                630.095                433.658
 ROA1   Fr= 1--     583.942             -41079.002             -24721.662
 CID1   Fr= 1--      25.323                -65.195                -57.007
 Raman2 Fr= 1--       4.065                244.254                169.067
 ROA2   Fr= 1--     180.498              -9339.680              -5693.433
 CID2   Fr= 1--      44.399                -38.238                -33.676
 Raman3 Fr= 1--       8.131                488.508                338.134
 ROA3   Fr= 1--     583.942             -41079.002             -24721.662
 CID3   Fr= 1--      71.820                -84.091                -73.112
 RC180  Fr= 1--      -0.295                  0.551                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   2773.0216               500.5722               313.1145
  Dep-P Fr= 1--      0.1405                 0.1079                 0.4357
  Dep-U Fr= 1--      0.2464                 0.1947                 0.6070
 Alpha2 Fr= 1--     43.9068                 8.5965                 2.0310
 Beta2  Fr= 1--    113.8880                16.2472                31.6745
 AlphaG Fr= 1--   -216.1826               -67.9037               -18.2696
 Gamma2 Fr= 1--   -955.2628                96.1977              -456.4018
 Delta2 Fr= 1--   -689.1832                80.7210                23.6355
 Raman1 Fr= 1--   11092.086               2002.289               1252.458
 ROA1   Fr= 1-- -113759.093              11818.056             -43058.240
 CID1   Fr= 1--     -10.256                  5.902                -34.379
 Raman2 Fr= 1--    1366.656                194.966                380.094
 ROA2   Fr= 1--  -17412.842               1662.978             -11142.728
 CID2   Fr= 1--     -12.741                  8.530                -29.316
 Raman3 Fr= 1--    2733.311                389.932                760.188
 ROA3   Fr= 1-- -113759.093              11818.056             -43058.240
 CID3   Fr= 1--     -41.620                 30.308                -56.642
 RC180  Fr= 1--      -0.507                 -0.611                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    435.0534               466.0321                25.8410
  Dep-P Fr= 1--      0.7099                 0.0647                 0.1551
  Dep-U Fr= 1--      0.8304                 0.1215                 0.2686
 Alpha2 Fr= 1--      0.3022                 8.8880                 0.3943
 Beta2  Fr= 1--     60.2078                 9.4391                 1.1567
 AlphaG Fr= 1--     -1.5945               -53.7759                -1.6167
 Gamma2 Fr= 1--  -1322.5258               230.2796                -1.6657
 Delta2 Fr= 1--   -213.0868                46.1568                -3.8538
 Raman1 Fr= 1--    1740.214               1864.129                103.364
 ROA1   Fr= 1-- -133781.253              23583.862               -283.230
 CID1   Fr= 1--     -76.876                 12.651                 -2.740
 Raman2 Fr= 1--     722.493                113.269                 13.880
 ROA2   Fr= 1--  -30035.924               5157.457                 -9.147
 CID2   Fr= 1--     -41.573                 45.533                 -0.659
 Raman3 Fr= 1--    1444.987                226.539                 27.760
 ROA3   Fr= 1-- -133781.253              23583.862               -283.230
 CID3   Fr= 1--     -92.583                104.105                -10.203
 RC180  Fr= 1--       0.661                 -0.757                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     11.3781                38.1502                30.3074
  Dep-P Fr= 1--      0.7275                 0.3669                 0.3375
  Dep-U Fr= 1--      0.8423                 0.5368                 0.5046
 Alpha2 Fr= 1--      0.0044                 0.3168                 0.2770
 Beta2  Fr= 1--      1.5972                 3.4134                 2.5491
 AlphaG Fr= 1--     -0.1229                -1.6815                -2.9305
 Gamma2 Fr= 1--    -10.6982                16.5106                -9.4294
 Delta2 Fr= 1--     -1.4646                30.0179                22.3114
 Raman1 Fr= 1--      45.513                152.601                121.230
 ROA1   Fr= 1--   -1073.891               2545.591               -191.258
 CID1   Fr= 1--     -23.595                 16.681                 -1.578
 Raman2 Fr= 1--      19.167                 40.961                 30.589
 ROA2   Fr= 1--    -245.039                156.111               -404.797
 CID2   Fr= 1--     -12.785                  3.811                -13.234
 Raman3 Fr= 1--      38.333                 81.921                 61.177
 ROA3   Fr= 1--   -1073.891               2545.591               -191.258
 CID3   Fr= 1--     -28.014                 31.074                 -3.126
 RC180  Fr= 1--       0.685                  0.074                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     36.8701                95.8149               136.4591
  Dep-P Fr= 1--      0.6924                 0.6865                 0.1876
  Dep-U Fr= 1--      0.8182                 0.8141                 0.3159
 Alpha2 Fr= 1--      0.0372                 0.1069                 1.9149
 Beta2  Fr= 1--      5.0280                13.0009                 7.1843
 AlphaG Fr= 1--     -0.3821                -1.7819                -5.9880
 Gamma2 Fr= 1--    -41.3410              -110.5876              -150.2823
 Delta2 Fr= 1--     29.0526                47.0968               -32.1959
 Raman1 Fr= 1--     147.481                383.260                545.836
 ROA1   Fr= 1--   -3039.056              -9109.317             -15457.367
 CID1   Fr= 1--     -20.606                -23.768                -28.319
 Raman2 Fr= 1--      60.336                156.011                 86.212
 ROA2   Fr= 1--   -1224.605              -3030.878              -3349.207
 CID2   Fr= 1--     -20.296                -19.427                -38.849
 Raman3 Fr= 1--     120.673                312.021                172.424
 ROA3   Fr= 1--   -3039.056              -9109.317             -15457.367
 CID3   Fr= 1--     -25.184                -29.195                -89.647
 RC180  Fr= 1--       0.636                  0.628                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--     83.5542                12.9793                18.8730
  Dep-P Fr= 1--      0.6010                 0.2309                 0.7097
  Dep-U Fr= 1--      0.7508                 0.3751                 0.8302
 Alpha2 Fr= 1--      0.2303                 0.1622                 0.0132
 Beta2  Fr= 1--     10.4555                 0.8115                 2.6114
 AlphaG Fr= 1--     -0.9167                -0.7177                 0.2394
 Gamma2 Fr= 1--   -376.9641               -44.7834               -28.2355
 Delta2 Fr= 1--    -62.4751                -7.1982                -4.9024
 Raman1 Fr= 1--     334.217                 51.917                 75.492
 ROA1   Fr= 1--  -38187.759              -4529.545              -2867.480
 CID1   Fr= 1--    -114.260                -87.245                -37.984
 Raman2 Fr= 1--     125.466                  9.738                 31.337
 ROA2   Fr= 1--   -8547.338              -1017.216               -638.432
 CID2   Fr= 1--     -68.124               -104.458                -20.373
 Raman3 Fr= 1--     250.933                 19.476                 62.674
 ROA3   Fr= 1--  -38187.759              -4529.545              -2867.480
 CID3   Fr= 1--    -152.183               -232.571                -45.752
 RC180  Fr= 1--       0.502                 -0.250                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    162.3234               108.2155               215.4649
  Dep-P Fr= 1--      0.7458                 0.5414                 0.5224
  Dep-U Fr= 1--      0.8544                 0.7025                 0.6863
 Alpha2 Fr= 1--      0.0115                 0.4339                 0.9544
 Beta2  Fr= 1--     23.1151                12.6697                24.6451
 AlphaG Fr= 1--     -0.0573                 0.8302                -3.5283
 Gamma2 Fr= 1--     -0.0241               -85.7972               -59.9028
 Delta2 Fr= 1--     97.0707                34.4716                39.0297
 Raman1 Fr= 1--     649.293                432.862                861.859
 ROA1   Fr= 1--    3103.953              -7133.441              -4501.717
 CID1   Fr= 1--       4.781                -16.480                 -5.223
 Raman2 Fr= 1--     277.381                152.037                295.741
 ROA2   Fr= 1--    -777.143              -2334.906              -1749.904
 CID2   Fr= 1--      -2.802                -15.357                 -5.917
 Raman3 Fr= 1--     554.763                304.074                591.481
 ROA3   Fr= 1--    3103.953              -7133.441              -4501.717
 CID3   Fr= 1--       5.595                -23.460                 -7.611
 RC180  Fr= 1--       0.709                  0.405                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    195.1797               337.0525                77.6838
  Dep-P Fr= 1--      0.1429                 0.0645                 0.1207
  Dep-U Fr= 1--      0.2501                 0.1212                 0.2154
 Alpha2 Fr= 1--      3.0717                 6.4309                 1.2924
 Beta2  Fr= 1--      8.1359                 6.8089                 2.7894
 AlphaG Fr= 1--    -11.8217               -42.0403               -11.1428
 Gamma2 Fr= 1--    -43.1994               115.5296                16.7237
 Delta2 Fr= 1--    -20.1228               -37.1587                -2.1181
 Raman1 Fr= 1--     780.719               1348.210                310.735
 ROA1   Fr= 1--   -4791.067               9901.764               1537.694
 CID1   Fr= 1--      -6.137                  7.344                  4.949
 Raman2 Fr= 1--      97.630                 81.707                 33.473
 ROA2   Fr= 1--    -875.802               3069.979                418.313
 CID2   Fr= 1--      -8.971                 37.573                 12.497
 Raman3 Fr= 1--     195.261                163.413                 66.945
 ROA3   Fr= 1--   -4791.067               9901.764               1537.694
 CID3   Fr= 1--     -24.537                 60.593                 22.969
 RC180  Fr= 1--      -0.500                 -0.758                 -0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     15.8508                12.4124                42.4808
  Dep-P Fr= 1--      0.5742                 0.4097                 0.7247
  Dep-U Fr= 1--      0.7295                 0.5812                 0.8404
 Alpha2 Fr= 1--      0.0525                 0.0888                 0.0184
 Beta2  Fr= 1--      1.9272                 1.2024                 5.9501
 AlphaG Fr= 1--      0.1912                 0.3304                -0.0243
 Gamma2 Fr= 1--      4.2515               -19.4099                33.2682
 Delta2 Fr= 1--      4.6639                 0.5083                23.2293
 Raman1 Fr= 1--      63.403                 49.650                169.923
 ROA1   Fr= 1--     557.390              -1847.088               3937.083
 CID1   Fr= 1--       8.791                -37.202                 23.170
 Raman2 Fr= 1--      23.126                 14.428                 71.401
 ROA2   Fr= 1--      64.725               -469.904                612.602
 CID2   Fr= 1--       2.799                -32.568                  8.580
 Raman3 Fr= 1--      46.252                 28.857                142.803
 ROA3   Fr= 1--     557.390              -1847.088               3937.083
 CID3   Fr= 1--      12.051                -64.008                 27.570
 RC180  Fr= 1--       0.459                  0.162                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    141.0294                93.1025               126.6068
  Dep-P Fr= 1--      0.7233                 0.7496                 0.4724
  Dep-U Fr= 1--      0.8394                 0.8569                 0.6417
 Alpha2 Fr= 1--      0.0648                 0.0007                 0.7072
 Beta2  Fr= 1--     19.7308                13.2961                13.5405
 AlphaG Fr= 1--     -0.0146                -0.0023                 0.5347
 Gamma2 Fr= 1--     17.2431               -19.3120                -8.5924
 Delta2 Fr= 1--    -11.7547               -34.8770                -5.5766
 Raman1 Fr= 1--     564.117                372.410                506.427
 ROA1   Fr= 1--    1279.189              -2970.011              -1003.322
 CID1   Fr= 1--       2.268                 -7.975                 -1.981
 Raman2 Fr= 1--     236.769                159.553                162.486
 ROA2   Fr= 1--     507.872               -184.471               -161.604
 CID2   Fr= 1--       2.145                 -1.156                 -0.995
 Raman3 Fr= 1--     473.538                319.106                324.973
 ROA3   Fr= 1--    1279.189              -2970.011              -1003.322
 CID3   Fr= 1--       2.701                 -9.307                 -3.087
 RC180  Fr= 1--       0.679                  0.714                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    114.4981                91.8592               394.1599
  Dep-P Fr= 1--      0.7346                 0.7248                 0.4980
  Dep-U Fr= 1--      0.8470                 0.8404                 0.6649
 Alpha2 Fr= 1--      0.0302                 0.0398                 1.9647
 Beta2  Fr= 1--     16.1629                12.8670                43.6781
 AlphaG Fr= 1--      0.4724                 0.0897                 1.7910
 Gamma2 Fr= 1--    -24.2564               -55.7369                47.0643
 Delta2 Fr= 1--     10.6293               -39.8564               -28.8353
 Raman1 Fr= 1--     457.992                367.437               1576.640
 ROA1   Fr= 1--   -1988.480              -6626.142               3595.441
 CID1   Fr= 1--      -4.342                -18.033                  2.280
 Raman2 Fr= 1--     193.955                154.405                524.137
 ROA2   Fr= 1--    -667.189              -1018.834               1360.225
 CID2   Fr= 1--      -3.440                 -6.598                  2.595
 Raman3 Fr= 1--     387.910                308.809               1048.274
 ROA3   Fr= 1--   -1988.480              -6626.142               3595.441
 CID3   Fr= 1--      -5.126                -21.457                  3.430
 RC180  Fr= 1--       0.694                  0.681                  0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--    106.6837               817.9436               331.1461
  Dep-P Fr= 1--      0.7499                 0.1082                 0.1593
  Dep-U Fr= 1--      0.8571                 0.1953                 0.2748
 Alpha2 Fr= 1--      0.0001                14.0341                 4.9994
 Beta2  Fr= 1--     15.2398                26.6297                15.1678
 AlphaG Fr= 1--      0.0040                15.7921                -7.1103
 Gamma2 Fr= 1--     67.8256               -35.5536               -20.1058
 Delta2 Fr= 1--    -10.6122               113.1016               -20.0946
 Raman1 Fr= 1--     426.735               3271.774               1324.584
 ROA1   Fr= 1--    6171.668                206.105              -2573.182
 CID1   Fr= 1--      14.463                  0.063                 -1.943
 Raman2 Fr= 1--     182.877                319.556                182.014
 ROA2   Fr= 1--    1712.711              -1758.099               -321.783
 CID2   Fr= 1--       9.365                 -5.502                 -1.768
 Raman3 Fr= 1--     365.754                639.112                364.028
 ROA3   Fr= 1--    6171.668                206.105              -2573.182
 CID3   Fr= 1--      16.874                  0.322                 -7.069
 RC180  Fr= 1--       0.714                 -0.609                 -0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    186.8647                35.1651                15.5485
  Dep-P Fr= 1--      0.2417                 0.0646                 0.1454
  Dep-U Fr= 1--      0.3893                 0.1214                 0.2538
 Alpha2 Fr= 1--      2.2666                 0.6707                 0.2432
 Beta2  Fr= 1--     12.1238                 0.7117                 0.6578
 AlphaG Fr= 1--     -0.6501                 0.9789                 1.5033
 Gamma2 Fr= 1--     -5.1636                -6.2526                 2.8430
 Delta2 Fr= 1--     -5.7704                 2.6242                 2.6223
 Raman1 Fr= 1--     747.459                140.661                 62.194
 ROA1   Fr= 1--    -680.359               -516.277                356.841
 CID1   Fr= 1--      -0.910                 -3.670                  5.738
 Raman2 Fr= 1--     145.486                  8.541                  7.894
 ROA2   Fr= 1--     -77.763               -171.057                 47.254
 CID2   Fr= 1--      -0.535                -20.029                  5.986
 Raman3 Fr= 1--     290.972                 17.081                 15.787
 ROA3   Fr= 1--    -680.359               -516.277                356.841
 CID3   Fr= 1--      -2.338                -30.225                 22.603
 RC180  Fr= 1--      -0.221                 -0.757                 -0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.465511D+03 -0.187879D+02  0.482989D+02
      2  -0.187879D+02  0.432123D+03  0.433926D+02
      3   0.482989D+02  0.433926D+02  0.251176D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.212176D+03 -0.480933D+02  0.156837D+03
      2  -0.120712D+03 -0.833333D+02 -0.525051D+02
      3   0.151673D+03  0.725866D+03 -0.259471D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.706702D+03  0.576985D+02 -0.335372D+03
      2   0.239887D+03  0.153137D+02 -0.197428D+02
      3   0.466815D+03 -0.730122D+02  0.355115D+03
      4   0.117316D+03 -0.382763D+03 -0.337894D+03
      5  -0.138487D+03 -0.216361D+03  0.594993D+02
      6  -0.320096D+03  0.112442D+03 -0.186032D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.133058D+01  0.137097D+01 -0.493756D-01  0.726775D+00 -0.854649D+00
      2   0.137097D+01 -0.220172D+01  0.462226D+00 -0.854649D+00  0.198394D+01
      3  -0.493756D-01  0.462226D+00 -0.116912D+01 -0.500698D+00  0.201045D+00
                 6             7             8             9            10 
      1  -0.500698D+00 -0.229224D+00 -0.157015D+00 -0.523275D+00 -0.358829D+01
      2   0.201045D+00 -0.157015D+00 -0.301158D+00  0.784817D+00  0.368457D+00
      3   0.128753D+01 -0.523275D+00  0.784817D+00  0.363581D+00 -0.222988D+01
                11            12            13            14            15 
      1   0.368457D+00 -0.222988D+01 -0.219057D+01  0.711677D-01 -0.145895D+01
      2  -0.570376D+00 -0.146541D+01  0.711677D-01  0.163617D+01 -0.151276D+01
      3  -0.146541D+01 -0.749563D+01 -0.145895D+01 -0.151276D+01 -0.158122D+01
                16            17            18            19            20 
      1  -0.333160D+01  0.213835D+00 -0.504619D+01  0.451461D+01 -0.932021D+00
      2   0.213835D+00 -0.485493D+01  0.114429D+01 -0.932021D+00  0.362211D+01
      3  -0.504619D+01  0.114429D+01 -0.640481D+01  0.238658D+01 -0.375022D-01
                21            22            23            24            25 
      1   0.238658D+01  0.303929D+01  0.142646D+01  0.273240D+01  0.349771D+01
      2  -0.375022D-01  0.142646D+01  0.127955D+00  0.200900D+00 -0.142896D+01
      3  -0.360217D+00  0.273240D+01  0.200900D+00  0.658603D+00  0.373104D+01
                26            27            28            29            30 
      1  -0.142896D+01  0.373104D+01  0.830374D+00  0.271032D+00  0.144615D+01
      2   0.113075D+01 -0.222937D+01  0.271032D+00  0.141123D+00  0.611294D-01
      3  -0.222937D+01  0.109347D+02  0.144615D+01  0.611294D-01  0.183889D+01
                31            32            33            34            35 
      1   0.357136D+00  0.865302D+00  0.121711D+01  0.146521D+01  0.112028D+01
      2   0.865302D+00  0.207675D+01  0.295675D+01  0.112028D+01  0.192181D+01
      3   0.121711D+01  0.295675D+01  0.583563D+01  0.205078D+01  0.308715D+01
                36            37            38            39            40 
      1   0.205078D+01  0.503879D+01  0.736833D+00  0.194917D+01  0.697125D+01
      2   0.308715D+01  0.736833D+00  0.203269D+01  0.121718D+01 -0.162922D+01
      3   0.659847D+01  0.194917D+01  0.121718D+01  0.269292D+01  0.192212D+01
                41            42            43            44            45 
      1  -0.162922D+01  0.192212D+01  0.423971D+01 -0.388561D+01  0.509759D+01
      2   0.264013D+01 -0.303484D+00 -0.388561D+01  0.472256D+01 -0.362205D+01
      3  -0.303484D+00 -0.202785D+01  0.509759D+01 -0.362205D+01  0.985447D+01
                46            47            48            49            50 
      1   0.827300D+01 -0.154225D+01  0.633523D+01 -0.771489D+00  0.895180D+00
      2  -0.154225D+01  0.776166D+00 -0.145930D+01  0.895180D+00 -0.288904D+00
      3   0.633523D+01 -0.145930D+01  0.601285D+01  0.124536D+00  0.672297D+00
                51            52            53            54            55 
      1   0.124536D+00  0.571109D+01 -0.422316D+00  0.496733D+01 -0.337703D+00
      2   0.672297D+00 -0.422316D+00  0.390765D+00 -0.444207D+00  0.137820D+01
      3   0.985123D+00  0.496733D+01 -0.444207D+00  0.511727D+01 -0.287801D+01
                56            57            58            59            60 
      1   0.137820D+01 -0.287801D+01 -0.471047D+01  0.120106D+01 -0.556162D+01
      2  -0.247572D+01  0.185447D+01  0.120106D+01 -0.401073D+01  0.360807D+01
      3   0.185447D+01 -0.171908D+01 -0.556162D+01  0.360807D+01 -0.615723D+01
                61            62            63            64            65 
      1  -0.958887D+01  0.170864D+01 -0.514461D+01  0.537200D+01 -0.450421D+01
      2   0.170864D+01 -0.461817D+00  0.502816D+00 -0.450421D+01  0.455783D+01
      3  -0.514461D+01  0.502816D+00 -0.554173D+01  0.113675D+01 -0.118271D+01
                66            67            68            69            70 
      1   0.113675D+01 -0.486507D+01  0.477742D+01 -0.514798D+00  0.384092D+00
      2  -0.118271D+01  0.477742D+01 -0.581315D+01  0.796825D+00  0.963544D-01
      3   0.824124D+00 -0.514798D+00  0.796825D+00 -0.555815D+00  0.508511D+00
                71            72            73            74            75 
      1   0.963544D-01  0.508511D+00  0.122830D+02 -0.370531D+01  0.109798D+02
      2  -0.693159D+00 -0.614389D+00 -0.370531D+01  0.336715D+01 -0.195823D+01
      3  -0.614389D+00  0.901871D-01  0.109798D+02 -0.195823D+01  0.109179D+02
                76            77            78            79            80 
      1  -0.164725D+02  0.480079D+01 -0.184717D+02 -0.236606D+01  0.385979D+00
      2   0.480079D+01 -0.671877D+01  0.122060D+01  0.385979D+00  0.231320D+00
      3  -0.184717D+02  0.122060D+01 -0.210853D+02 -0.229532D+01 -0.160954D+01
                81            82            83            84            85 
      1  -0.229532D+01  0.167699D+02 -0.108477D+02  0.947882D+01  0.739110D+01
      2  -0.160954D+01 -0.108477D+02  0.190991D+02 -0.186496D+01 -0.262718D+01
      3  -0.509469D+01  0.947882D+01 -0.186496D+01  0.119840D+02  0.579817D+01
                86            87            88            89            90 
      1  -0.262718D+01  0.579817D+01  0.104303D+02 -0.668884D+01  0.126973D+02
      2  -0.129521D+01  0.127443D+01 -0.668884D+01  0.167641D+02 -0.559836D+01
      3   0.127443D+01  0.667095D+01  0.126973D+02 -0.559836D+01  0.135938D+02
                91            92            93            94            95 
      1  -0.220286D+02  0.547145D+01 -0.186508D+02  0.956135D+01 -0.988624D+00
      2   0.547145D+01 -0.666482D+01  0.233041D+01 -0.988624D+00  0.415534D+01
      3  -0.186508D+02  0.233041D+01 -0.186560D+02  0.124892D+02  0.292619D+00
                96            97            98            99           100 
      1   0.124892D+02 -0.367365D+01  0.240777D+01 -0.336501D+01  0.105254D+02
      2   0.292619D+00  0.240777D+01 -0.375347D+00  0.246079D+01  0.142004D+01
      3   0.146314D+02 -0.336501D+01  0.246079D+01 -0.299106D+01  0.949418D+01
               101           102           103           104           105 
      1   0.142004D+01  0.949418D+01  0.259994D+02 -0.226692D+02  0.156622D+02
      2  -0.476498D+01 -0.578649D+00 -0.226692D+02  0.424505D+02 -0.102812D+02
      3  -0.578649D+00  0.873709D+01  0.156622D+02 -0.102812D+02  0.103420D+02
               106           107           108           109           110 
      1   0.185519D+02 -0.103465D+02  0.135163D+02 -0.660480D+01 -0.396101D+01
      2  -0.103465D+02  0.187002D+02 -0.468951D+01 -0.396101D+01  0.747360D+01
      3   0.135163D+02 -0.468951D+01  0.117081D+02 -0.738155D+01  0.922741D+00
               111           112           113           114           115 
      1  -0.738155D+01 -0.287397D+02  0.262621D+02 -0.184910D+02 -0.147909D+02
      2   0.922741D+00  0.262621D+02 -0.496819D+02  0.133778D+02  0.971676D+01
      3  -0.533818D+01 -0.184910D+02  0.133778D+02 -0.121072D+02 -0.115880D+02
               116           117           118           119           120 
      1   0.971676D+01 -0.115880D+02 -0.210464D+02  0.188715D+02 -0.119349D+02
      2  -0.153901D+02  0.380335D+01  0.188715D+02 -0.347338D+02  0.934393D+01
      3   0.380335D+01 -0.102879D+02 -0.119349D+02  0.934393D+01 -0.908991D+01
               121           122           123           124           125 
      1   0.633981D+01 -0.118760D+02  0.427886D+01 -0.924718D+01  0.945716D+01
      2  -0.118760D+02  0.156613D+02 -0.479131D+01  0.945716D+01 -0.128085D+02
      3   0.427886D+01 -0.479131D+01  0.336965D+01 -0.640942D+01  0.217060D+01
               126           127           128           129           130 
      1  -0.640942D+01  0.204554D+02 -0.100731D+02  0.695937D+01  0.148068D+01
      2   0.217060D+01 -0.100731D+02  0.707310D+02 -0.672586D+01  0.143612D+02
      3  -0.113138D+02  0.695937D+01 -0.672586D+01  0.261479D+01 -0.748166D+00
               131           132           133           134           135 
      1   0.143612D+02 -0.748166D+00  0.644963D+01  0.194745D+01  0.127175D+01
      2   0.184261D+02  0.380671D+01  0.194745D+01  0.259565D+02 -0.599542D+00
      3   0.380671D+01  0.483597D-01  0.127175D+01 -0.599542D+00  0.367104D+00
               136           137           138           139           140 
      1  -0.205428D+02  0.704627D+01 -0.631907D+01 -0.190747D+01 -0.817287D+01
      2   0.704627D+01 -0.707615D+02  0.778684D+01 -0.817287D+01 -0.147784D+02
      3  -0.631907D+01  0.778684D+01 -0.185357D+01 -0.237635D+00 -0.122400D+01
               141           142           143           144           145 
      1  -0.237635D+00 -0.515148D+01  0.126693D+01 -0.431657D+01 -0.108362D+02
      2  -0.122400D+01  0.126693D+01 -0.244948D+02  0.197801D+01 -0.195146D+00
      3  -0.172360D+00 -0.431657D+01  0.197801D+01 -0.209925D+01 -0.486023D+01
               146           147           148           149           150 
      1  -0.195146D+00 -0.486023D+01  0.116563D+02  0.100176D+01  0.898900D+01
      2  -0.131519D+02  0.188878D-01  0.100176D+01  0.373608D+02 -0.273873D+01
      3   0.188878D-01 -0.500912D+01  0.898900D+01 -0.273873D+01  0.734419D+01
               151           152           153           154           155 
      1   0.293470D+01  0.229465D+01 -0.326154D+01  0.159881D+02 -0.391448D+01
      2   0.229465D+01  0.519056D+01 -0.264771D+00 -0.391448D+01  0.157756D+02
      3  -0.326154D+01 -0.264771D+00 -0.471500D+01  0.124525D+02 -0.264141D+01
               156           157           158           159           160 
      1   0.124525D+02 -0.137828D+02 -0.188940D+01 -0.605081D+01  0.382652D+01
      2  -0.264141D+01 -0.188940D+01 -0.223144D+02  0.299689D+01 -0.274671D+00
      3   0.103658D+02 -0.605081D+01  0.299689D+01 -0.457106D+01  0.257210D+01
               161           162           163           164           165 
      1  -0.274671D+00  0.257210D+01  0.348355D+02  0.197707D+02 -0.200464D+01
      2   0.293448D+01 -0.527200D+01  0.197707D+02  0.333123D+02 -0.100038D+01
      3  -0.527200D+01 -0.597252D+00 -0.200464D+01 -0.100038D+01  0.683081D+00
               166           167           168           169           170 
      1  -0.177325D+02 -0.164188D+02 -0.146087D+00 -0.433632D+01 -0.440753D+01
      2  -0.164188D+02 -0.511976D+02 -0.146456D+01 -0.440753D+01 -0.157270D+02
      3  -0.146087D+00 -0.146456D+01 -0.342123D+00  0.429088D+00 -0.804417D+00
               171           172           173           174           175 
      1   0.429088D+00 -0.305523D+02 -0.182281D+02  0.230194D+01  0.234607D+02
      2  -0.804417D+00 -0.182281D+02 -0.310708D+02  0.158520D+01  0.223424D+02
      3  -0.287063D+00  0.230194D+01  0.158520D+01  0.516530D+00 -0.509817D+00
               176           177           178           179           180 
      1   0.223424D+02 -0.509817D+00  0.464202D+01  0.476478D+01 -0.185043D+01
      2   0.623336D+02 -0.144564D+00  0.476478D+01  0.140267D+02  0.174322D+01
      3  -0.144564D+00  0.101208D+00 -0.185043D+01  0.174322D+01  0.850356D+00
               181           182           183           184           185 
      1   0.135413D+02  0.854384D+01 -0.638255D+00  0.231990D+02  0.249310D+01
      2   0.854384D+01  0.121890D+02 -0.183149D+01  0.249310D+01  0.283265D+02
      3  -0.638255D+00 -0.183149D+01 -0.852342D+00  0.312999D+01 -0.455834D+01
               186           187           188           189           190 
      1   0.312999D+01  0.970134D+01  0.123354D+01 -0.324981D+01 -0.490245D+01
      2  -0.455834D+01  0.123354D+01  0.656180D+01  0.290216D+01 -0.373312D+01
      3   0.232585D+01 -0.324981D+01  0.290216D+01  0.537263D+00  0.211430D+01
               191           192           193           194           195 
      1  -0.373312D+01  0.211430D+01 -0.236253D+02  0.320283D+01 -0.274562D+00
      2   0.349511D+01 -0.154629D+01  0.320283D+01 -0.403997D+02  0.542048D+01
      3  -0.154629D+01 -0.874086D+00 -0.274562D+00  0.542048D+01 -0.136665D+01
               196           197           198           199           200 
      1  -0.441186D+01  0.176304D+01 -0.482810D+01 -0.162424D+02 -0.122433D+02
      2   0.176304D+01 -0.737220D+01 -0.325700D+00 -0.122433D+02 -0.100038D+02
      3  -0.482810D+01 -0.325700D+00 -0.228190D+01  0.556432D-02  0.127000D+01
               201           202           203           204           205 
      1   0.556432D-02 -0.411784D+02 -0.919217D+01  0.990216D+01 -0.183733D+02
      2   0.127000D+01 -0.919217D+01 -0.116179D+02  0.229967D+00 -0.323153D+01
      3  -0.889234D-01  0.990216D+01  0.229967D+00 -0.215762D+01  0.318554D+01
               206           207           208           209           210 
      1  -0.323153D+01  0.318554D+01 -0.283652D+02 -0.153104D+02  0.467498D+01
      2  -0.547104D+01 -0.631154D+00 -0.153104D+02 -0.382416D+02 -0.102255D+01
      3  -0.631154D+00 -0.168417D+01  0.467498D+01 -0.102255D+01 -0.415968D+01
               211           212           213           214           215 
      1  -0.146074D+02 -0.168444D+02  0.251311D+01 -0.217615D+01 -0.270658D+01
      2  -0.168444D+02 -0.379549D+02 -0.621176D+00 -0.270658D+01 -0.970821D+01
      3   0.251311D+01 -0.621176D+00 -0.795231D+00 -0.444589D+01  0.172842D+01
               216           217           218           219           220 
      1  -0.444589D+01  0.429152D+02  0.149122D+02 -0.912731D+01 -0.609442D+01
      2   0.172842D+01  0.149122D+02  0.321249D+02  0.309638D+00 -0.627075D+00
      3   0.254611D+01 -0.912731D+01  0.309638D+00  0.440302D+01  0.204992D+01
               221           222           223           224           225 
      1  -0.627075D+00  0.204992D+01 -0.447111D+01 -0.530081D+00  0.302136D+01
      2   0.100719D+02 -0.141822D+01 -0.530081D+00 -0.816601D+00  0.547872D+01
      3  -0.141822D+01  0.204839D+00  0.302136D+01  0.547872D+01  0.186122D+01
               226           227           228           229           230 
      1  -0.101697D+02  0.198558D+01  0.469544D+01  0.461866D+02  0.126033D+02
      2   0.198558D+01  0.283263D+01  0.571489D-02  0.126033D+02  0.145745D+02
      3   0.469544D+01  0.571489D-02 -0.161449D+01 -0.111112D+02 -0.734994D+00
               231           232           233           234           235 
      1  -0.111112D+02  0.167219D+02  0.401128D+01 -0.450349D+01 -0.318318D+01
      2  -0.734994D+00  0.401128D+01  0.337489D+01  0.131609D+01 -0.544056D+01
      3   0.230980D+01 -0.450349D+01  0.131609D+01  0.240929D+01 -0.100744D+01
               236           237           238           239           240 
      1  -0.544056D+01 -0.100744D+01  0.399287D+01  0.319068D+01 -0.314456D+00
      2  -0.737054D+01  0.631639D+00  0.319068D+01  0.353713D+01 -0.242164D+01
      3   0.631639D+00  0.244445D+00 -0.314456D+00 -0.242164D+01  0.547366D+00
               241           242           243           244           245 
      1   0.417238D+01  0.267375D+01  0.166058D+01  0.128929D+02  0.395649D+01
      2   0.267375D+01 -0.164487D+00  0.249992D+01  0.395649D+01  0.898348D+01
      3   0.166058D+01  0.249992D+01  0.216392D+01 -0.184224D+01  0.621755D+00
               246           247           248           249           250 
      1  -0.184224D+01  0.709410D+01 -0.364987D+01 -0.597443D+01  0.144531D+01
      2   0.621755D+00 -0.364987D+01 -0.273575D+01 -0.432049D+00 -0.413016D+01
      3   0.303230D+01 -0.597443D+01 -0.432049D+00  0.152811D+01  0.242725D+01
               251           252           253           254           255 
      1  -0.413016D+01  0.242725D+01  0.217354D+02  0.362867D+01 -0.597201D+01
      2  -0.486892D+01  0.211186D+01  0.362867D+01  0.482828D+01  0.271477D+00
      3   0.211186D+01 -0.118507D+01 -0.597201D+01  0.271477D+00  0.171856D+01
               256           257           258           259           260 
      1  -0.708124D+01  0.168433D+01  0.205546D+01 -0.702223D+01 -0.119314D+01
      2   0.168433D+01  0.243541D+01 -0.367616D+00 -0.119314D+01  0.376992D+00
      3   0.205546D+01 -0.367616D+00  0.715898D+00  0.441367D+01  0.790991D+00
               261           262           263           264           265 
      1   0.441367D+01 -0.245505D+02 -0.127447D+00  0.844395D+01 -0.179330D+01
      2   0.790991D+00 -0.127447D+00 -0.377991D+01 -0.149881D+01 -0.474461D+00
      3  -0.225572D+01  0.844395D+01 -0.149881D+01 -0.359987D+01  0.175786D+01
               266           267           268           269           270 
      1  -0.474461D+00  0.175786D+01  0.272753D+01  0.118094D+01 -0.121783D+01
      2  -0.269387D+01  0.104251D+01  0.118094D+01  0.403744D+01 -0.230151D+01
      3   0.104251D+01 -0.127079D+01 -0.121783D+01 -0.230151D+01 -0.763219D+00
               271           272           273           274           275 
      1   0.344603D+01 -0.447556D+01  0.380204D-01 -0.305329D+01  0.468417D+01
      2  -0.447556D+01  0.679068D+01 -0.111340D+00  0.468417D+01 -0.934742D+01
      3   0.380204D-01 -0.111340D+00  0.848922D+00  0.816231D+00 -0.104556D+01
               276           277           278           279           280 
      1   0.816231D+00  0.869077D+00  0.444802D-01  0.820813D+00 -0.853162D+00
      2  -0.104556D+01  0.444802D-01 -0.141280D+01 -0.662514D+00 -0.615713D+00
      3  -0.374232D+00  0.820813D+00 -0.662514D+00 -0.440100D-01 -0.108129D+01
               281           282           283           284           285 
      1  -0.615713D+00 -0.108129D+01 -0.230958D+00 -0.124826D+01 -0.296855D+00
      2  -0.207001D+01 -0.707472D+00 -0.124826D+01 -0.104739D+02 -0.485098D+01
      3  -0.707472D+00 -0.136791D+01 -0.296855D+00 -0.485098D+01 -0.319429D+01
               286           287           288           289           290 
      1  -0.104296D+01 -0.122354D+01 -0.709273D+00 -0.126047D+02 -0.343466D+01
      2  -0.122354D+01 -0.554622D+01 -0.359632D+01 -0.343466D+01 -0.125370D+01
      3  -0.709273D+00 -0.359632D+01 -0.218782D+01 -0.510528D+01 -0.122318D+01
               291           292           293           294           295 
      1  -0.510528D+01 -0.158602D+01 -0.212170D+01 -0.105499D+01 -0.494408D+01
      2  -0.122318D+01 -0.212170D+01  0.124715D+00 -0.876688D+00 -0.135287D+01
      3  -0.302881D+01 -0.105499D+01 -0.876688D+00 -0.941655D+00 -0.218097D+01
               296           297           298           299           300 
      1  -0.135287D+01 -0.218097D+01 -0.148371D+01 -0.235714D+01 -0.105553D+01
      2  -0.115325D+01 -0.105401D+01 -0.235714D+01 -0.153647D+01 -0.169664D+01
      3  -0.105401D+01 -0.122781D+01 -0.105553D+01 -0.169664D+01 -0.101623D+01
               301           302           303           304           305 
      1  -0.241377D+01 -0.376541D+01 -0.207931D+01 -0.118291D+01 -0.282135D+01
      2  -0.376541D+01 -0.102151D+02 -0.488596D+01 -0.282135D+01 -0.475087D+01
      3  -0.207931D+01 -0.488596D+01 -0.319502D+01 -0.134898D+01 -0.266009D+01
               306           307           308           309           310 
      1  -0.134898D+01 -0.926398D+01  0.598005D+01  0.353003D+00  0.677291D+01
      2  -0.266009D+01  0.598005D+01 -0.335187D+01 -0.586379D-01 -0.522259D+01
      3  -0.227984D+01  0.353003D+00 -0.586379D-01 -0.706032D+00 -0.633480D+00
               311           312           313           314           315 
      1  -0.522259D+01 -0.633480D+00  0.805224D+00 -0.884577D+00 -0.507535D+00
      2   0.589482D+01  0.643578D+00 -0.884577D+00  0.117745D+01 -0.111783D+00
      3   0.643578D+00  0.550754D+00 -0.507535D+00 -0.111783D+00  0.243751D+00
               316           317           318           319           320 
      1  -0.159297D+02 -0.775207D+00 -0.333495D+01 -0.220831D+01 -0.145979D+01
      2  -0.775207D+00 -0.240176D+00 -0.173539D+00 -0.145979D+01 -0.151410D+01
      3  -0.333495D+01 -0.173539D+00 -0.155932D+01 -0.891876D+00 -0.464410D+00
               321           322           323           324           325 
      1  -0.891876D+00 -0.437892D+01 -0.509054D+00 -0.114580D+01 -0.682710D+01
      2  -0.464410D+00 -0.509054D+00  0.327617D+00  0.311508D+00  0.492874D+01
      3  -0.333714D+00 -0.114580D+01  0.311508D+00 -0.690386D+00  0.154401D+01
               326           327           328           329           330 
      1   0.492874D+01  0.154401D+01  0.354688D+01 -0.547028D+01 -0.148953D+01
      2  -0.598762D+01 -0.135198D+01 -0.547028D+01  0.662655D+01  0.164995D+01
      3  -0.135198D+01 -0.962765D+00 -0.148953D+01  0.164995D+01  0.116079D+01
               331           332           333           334           335 
      1   0.116583D+01 -0.191457D+01 -0.166811D+00  0.121208D+01  0.190207D+01
      2  -0.191457D+01  0.110149D+01  0.106916D+01  0.190207D+01  0.262224D+01
      3  -0.166811D+00  0.106916D+01  0.282311D+00  0.196814D+00  0.475390D+00
               336           337           338           339           340 
      1   0.196814D+00  0.520647D+00  0.313511D+00  0.199678D+00 -0.396761D+00
      2   0.475390D+00  0.313511D+00  0.142086D+02  0.389039D+01 -0.117354D+00
      3   0.284871D+00  0.199678D+00  0.389039D+01  0.186172D+01 -0.196121D+00
               341           342           343           344           345 
      1  -0.117354D+00 -0.196121D+00  0.146290D+01  0.192719D+01  0.386946D+00
      2   0.486724D+01  0.131621D+01  0.192719D+01  0.273815D+01  0.554755D+00
      3   0.131621D+01  0.964550D+00  0.386946D+00  0.554755D+00  0.433721D+00
               346           347           348           349           350 
      1   0.154827D+01  0.360074D+01  0.110969D+01  0.791374D+00  0.998811D+00
      2   0.360074D+01  0.117232D+02  0.302392D+01  0.998811D+00  0.391193D+01
      3   0.110969D+01  0.302392D+01  0.161453D+01  0.267359D+00  0.142424D+01
               351           352           353           354           355 
      1   0.267359D+00  0.105135D+02  0.504306D+01 -0.457475D+00  0.348258D+01
      2   0.142424D+01  0.504306D+01  0.323634D+01 -0.183027D+00  0.260103D+01
      3   0.808333D+00 -0.457475D+00 -0.183027D+00  0.840968D+00  0.287631D+00
               356           357           358           359           360 
      1   0.260103D+01  0.287631D+00  0.922931D-01  0.424735D+00  0.159360D+00
      2   0.239825D+01  0.147945D+00  0.424735D+00  0.595725D+00  0.228316D+00
      3   0.147945D+00  0.328690D+00  0.159360D+00  0.228316D+00  0.330509D+00
               361           362           363           364           365 
      1   0.102439D+02 -0.219548D+01 -0.174808D+01  0.273009D+01  0.559380D+01
      2  -0.219548D+01  0.131825D+01  0.170458D+00  0.559380D+01 -0.284655D+01
      3  -0.174808D+01  0.170458D+00  0.187045D+01 -0.766013D+00 -0.231440D+01
               366           367           368           369           370 
      1  -0.766013D+00  0.637026D+00  0.856822D+00  0.543619D+01 -0.160595D+01
      2  -0.231440D+01  0.856822D+00 -0.777084D+00 -0.132552D+01 -0.901505D+00
      3  -0.981800D+00  0.543619D+01 -0.132552D+01 -0.690639D+01  0.304746D+00
               371           372           373           374           375 
      1  -0.901505D+00  0.304746D+00 -0.101266D+01 -0.770522D+00  0.542547D+00
      2  -0.181631D+01  0.425532D+00 -0.770522D+00 -0.287614D+01 -0.102270D-02
      3   0.425532D+00 -0.343972D+00  0.542547D+00 -0.102270D-02 -0.121179D+01
               376           377           378 
      1  -0.146602D+00 -0.341734D+00  0.670018D-01
      2  -0.341734D+00 -0.115393D+01 -0.435891D+00
      3   0.670018D-01 -0.435891D+00 -0.786288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690655D+01 -0.120507D+02  0.232091D+01 -0.641679D+01  0.136008D+02
      2   0.662397D+01 -0.828825D+01  0.327100D+01 -0.455426D+01  0.774868D+01
      3  -0.450060D+01 -0.315164D+00  0.103850D+01  0.743623D+01 -0.601211D+01
                 6             7             8             9            10 
      1  -0.245529D+01  0.184397D+00  0.260721D+01  0.397331D+01 -0.161610D+02
      2  -0.834317D+00  0.594031D+00  0.240983D+00  0.268694D+01  0.777358D+01
      3   0.223219D+01 -0.276594D+01 -0.356364D+01 -0.341586D+01  0.279400D+02
                11            12            13            14            15 
      1   0.936198D+01 -0.350493D+02 -0.103964D+02  0.171796D+02 -0.142159D+02
      2   0.757329D+01 -0.549926D+01  0.425725D+01  0.702722D+01  0.395064D+01
      3  -0.188845D+02  0.411217D+02  0.228043D+02 -0.272599D+02  0.148024D+02
                16            17            18            19            20 
      1  -0.161125D+02 -0.584069D+01 -0.326226D+01  0.143721D+02  0.184762D+01
      2  -0.104638D+02  0.898533D+01  0.206675D+01  0.100982D+01 -0.475009D+01
      3   0.246377D+02 -0.120000D+02  0.233303D+02 -0.248131D+02  0.974757D+01
                21            22            23            24            25 
      1   0.172835D+02  0.145512D+02  0.102358D+02  0.475596D+00  0.858669D+01
      2   0.494477D+01 -0.224375D+01 -0.531900D+01 -0.526594D+01 -0.622275D+01
      3  -0.299236D+02 -0.147265D+02 -0.276379D+02 -0.576176D+01 -0.248548D+02
                26            27            28            29            30 
      1  -0.317054D+01  0.246346D+02  0.286989D+01 -0.175662D+01  0.244495D+01
      2   0.507780D+01  0.780903D+01  0.256133D+00 -0.156492D+01 -0.258631D-01
      3   0.189101D+02 -0.379411D+02 -0.389127D+01  0.221544D+01 -0.506874D+01
                31            32            33            34            35 
      1   0.418184D+01  0.135624D+02  0.166185D+02  0.757466D+01  0.159219D+02
      2  -0.438816D+00  0.187888D+01  0.732793D+01 -0.371415D+01  0.171232D+01
      3  -0.203987D+01 -0.827431D+01 -0.145545D+02 -0.339060D+01 -0.106031D+02
                36            37            38            39            40 
      1   0.186896D+02  0.167884D+02  0.679751D+01  0.672912D+01  0.935825D+01
      2   0.262381D+01 -0.713056D+01 -0.129404D+00 -0.123896D+00 -0.123932D+02
      3  -0.119579D+02 -0.297818D+02 -0.139519D+02 -0.145707D+02 -0.300802D+02
                41            42            43            44            45 
      1  -0.115482D+02  0.510345D+01  0.940343D+01 -0.332622D+01  0.299838D+02
      2  -0.138797D+01 -0.256354D+01  0.174364D+01 -0.429153D+01  0.125194D+02
      3   0.202294D+02 -0.146655D+02 -0.246753D+02  0.361739D+02 -0.274194D+02
                46            47            48            49            50 
      1   0.952075D+01  0.817032D+00  0.877737D+01  0.224547D+01  0.710023D+00
      2  -0.999599D+01  0.309561D+00 -0.993640D+00  0.396669D+01 -0.162489D+01
      3  -0.181390D+02 -0.681607D-01 -0.132595D+02  0.725037D+00 -0.104504D+01
                51            52            53            54            55 
      1   0.411152D+01  0.111911D+02  0.220452D+01  0.104613D+02 -0.213814D+02
      2   0.321884D+01 -0.826150D+01  0.691741D+00 -0.250391D+01 -0.118965D+02
      3  -0.248690D+01 -0.172636D+02 -0.260403D+01 -0.148686D+02  0.118648D+02
                56            57            58            59            60 
      1   0.185555D+02 -0.167974D+02 -0.222561D+02  0.565380D+01 -0.224619D+02
      2   0.165228D+02  0.225671D+01  0.821155D+00  0.106562D+02 -0.492370D+00
      3  -0.306118D+02  0.162048D+02  0.276127D+02 -0.144068D+02  0.256160D+02
                61            62            63            64            65 
      1  -0.272022D+02  0.290836D+02 -0.283317D+02 -0.555761D+01  0.515176D+01
      2  -0.391557D+01  0.884887D+01 -0.186050D+02 -0.821784D+01  0.591210D+01
      3   0.605724D+02 -0.521495D+02  0.410657D+02 -0.976873D+01  0.259657D+01
                66            67            68            69            70 
      1   0.626655D+00  0.705462D+01 -0.874711D+01 -0.331761D+01  0.605116D+00
      2   0.626360D+00  0.927905D+01 -0.901394D+01 -0.220775D+01 -0.143809D+01
      3  -0.754344D-01  0.945687D+01 -0.398106D+01  0.101854D+01 -0.140109D+00
                71            72            73            74            75 
      1  -0.239515D+01 -0.173428D+01  0.508313D+02 -0.283055D+02  0.532560D+02
      2  -0.557620D+00 -0.162915D+01  0.197384D+02 -0.899155D+01  0.193446D+02
      3   0.292119D+01  0.641598D+00 -0.942125D+02  0.621804D+02 -0.855708D+02
                76            77            78            79            80 
      1  -0.836281D+02 -0.279046D+02 -0.101950D+03 -0.295868D+01 -0.223113D+02
      2  -0.423582D+01 -0.258769D+02 -0.113078D+02 -0.534322D+01 -0.149150D+02
      3   0.144123D+03 -0.117281D+02  0.175555D+03  0.257877D+02  0.350731D+02
                81            82            83            84            85 
      1  -0.156721D+02  0.473683D+02 -0.951289D+01  0.524044D+02  0.194020D+02
      2  -0.125444D+02  0.220613D+02 -0.187559D+01  0.163219D+02  0.789423D+01
      3   0.374641D+02 -0.155326D+03  0.118156D+03 -0.943500D+02 -0.625080D+02
                86            87            88            89            90 
      1   0.234717D+02  0.263741D+02  0.650039D+02 -0.994619D+01  0.746450D+02
      2   0.172621D+02  0.970820D+01 -0.816367D+00  0.787220D+01  0.622131D+01
      3  -0.309880D+01 -0.647613D+02 -0.102644D+03  0.700965D+02 -0.130173D+03
                91            92            93            94            95 
      1  -0.506520D+02 -0.120722D+02 -0.579762D+02  0.361718D+02  0.315353D+01
      2   0.242051D+02 -0.204742D+02  0.160537D+02  0.427594D-01  0.397023D+01
      3   0.101079D+03 -0.398414D+02  0.966893D+02 -0.683677D+02  0.102761D+02
                96            97            98            99           100 
      1   0.428596D+02  0.172383D+01 -0.124433D+02 -0.928806D+00  0.155051D+02
      2  -0.441766D+01  0.393632D+01 -0.108335D+02 -0.451951D+01 -0.511620D+01
      3  -0.807318D+02 -0.127069D+01  0.308020D+02  0.467992D+01 -0.391033D+02
               101           102           103           104           105 
      1   0.718158D+01  0.197556D+02  0.674471D+02 -0.419190D+02  0.364205D+02
      2   0.135140D+02  0.398366D+00  0.124418D+02 -0.947495D+00  0.402872D+01
      3  -0.443837D+02 -0.430112D+02 -0.180337D+03  0.230784D+03 -0.897217D+02
               106           107           108           109           110 
      1   0.375715D+02 -0.454533D+01  0.286596D+02 -0.244537D+02 -0.217330D+02
      2  -0.159311D+02 -0.185109D+00 -0.165193D+02  0.187085D+01 -0.219366D+02
      3  -0.868991D+02  0.142525D+03 -0.626312D+02  0.658828D+02  0.522223D+02
               111           112           113           114           115 
      1  -0.245638D+02 -0.102492D+03  0.787151D+02 -0.607616D+02 -0.518198D+02
      2  -0.704599D+01 -0.223811D+02  0.282506D+02 -0.976387D+01 -0.291741D+02
      3   0.599075D+02  0.255780D+03 -0.370086D+03  0.152308D+03  0.123628D+03
               116           117           118           119           120 
      1   0.358632D+02 -0.391150D+02 -0.665093D+02  0.540589D+02 -0.468428D+02
      2   0.155906D+02 -0.115702D+02 -0.148641D+02  0.151484D+02 -0.700664D+01
      3  -0.125998D+03  0.803114D+02  0.197872D+03 -0.244766D+03  0.120408D+03
               121           122           123           124           125 
      1   0.302450D+02 -0.374976D+02  0.172454D+02 -0.370551D+02  0.203138D+02
      2   0.138942D+02 -0.203606D+02  0.626080D+01 -0.197634D+02  0.148030D+02
      3  -0.626509D+02  0.146358D+03 -0.385126D+02  0.756949D+02 -0.101762D+03
               126           127           128           129           130 
      1  -0.520672D+02  0.485137D+02 -0.801582D+02  0.187509D+02 -0.300914D+01
      2  -0.122221D+02  0.108609D+02 -0.396717D+02  0.584623D+01 -0.110589D+02
      3   0.587823D+02 -0.629671D+02  0.395205D+03 -0.355499D+02  0.811877D+02
               131           132           133           134           135 
      1  -0.201232D+02  0.122940D+01  0.603521D+01 -0.820116D+01 -0.593511D+01
      2  -0.183369D+02 -0.144411D+01 -0.201433D+02 -0.166824D+02 -0.682314D+01
      3   0.819524D+02  0.174041D+02  0.348295D+02  0.150700D+03  0.221260D+01
               136           137           138           139           140 
      1  -0.517593D+02  0.104331D+03 -0.227211D+02  0.740868D+01  0.195507D+02
      2  -0.115275D+02  0.765114D+02 -0.890481D+01  0.229681D+02  0.218608D+02
      3   0.692127D+02 -0.527313D+03  0.560222D+02 -0.722535D+02 -0.104493D+03
               141           142           143           144           145 
      1   0.334556D+00 -0.123926D+02  0.651514D+02 -0.321203D+01 -0.178844D+02
      2   0.558496D+01  0.631727D+00  0.330932D+02  0.157903D+00 -0.108142D+02
      3  -0.146057D+02 -0.125412D+02 -0.177839D+03  0.818751D+01  0.502446D+02
               146           147           148           149           150 
      1   0.500171D+01 -0.172765D+02  0.345118D+02 -0.723408D+02  0.290653D+02
      2   0.114869D+02  0.449249D+01 -0.854640D+01 -0.522216D+02 -0.398883D+01
      3  -0.843564D+02  0.231363D+02 -0.139066D+02  0.278536D+03 -0.394530D+02
               151           152           153           154           155 
      1  -0.133244D+02  0.107950D+02 -0.105617D+02  0.555720D+02 -0.219069D+02
      2   0.112350D+02 -0.672674D+01  0.975400D+01  0.213355D+02 -0.225036D+02
      3   0.323762D+01  0.468676D+02  0.114448D+02 -0.120543D+03  0.129712D+03
               156           157           158           159           160 
      1   0.430994D+02 -0.223455D+02  0.337022D+02 -0.221837D+02  0.822346D+01
      2   0.742296D+01 -0.178552D+01  0.115161D+02  0.139746D+01 -0.665807D+01
      3  -0.824521D+02  0.382130D+02 -0.145004D+03  0.377557D+02 -0.483950D+02
               161           162           163           164           165 
      1  -0.884798D+01  0.911022D+01 -0.121733D+02 -0.471276D+02  0.272418D+01
      2   0.291402D+02  0.100010D+02 -0.127896D+02 -0.164842D+02 -0.819508D+00
      3   0.202175D+02 -0.569184D+02  0.151238D+03  0.190067D+03 -0.356514D+01
               166           167           168           169           170 
      1  -0.345791D+01  0.415367D+02 -0.189069D-01 -0.938058D+01  0.416775D+02
      2   0.208990D+02  0.271173D+02  0.201905D+01 -0.198443D+02  0.148789D+02
      3  -0.132101D+03 -0.251138D+03 -0.129548D+02 -0.378615D+01 -0.969897D+02
               171           172           173           174           175 
      1  -0.714227D+01  0.256538D+02  0.504118D+02  0.103606D+01  0.280463D+00
      2   0.210978D+01  0.453236D+02  0.314715D+02 -0.485277D+00 -0.153304D+02
      3   0.117063D+01 -0.242299D+03 -0.243403D+03  0.795671D+01  0.179972D+03
               176           177           178           179           180 
      1  -0.752755D+02  0.756746D+01  0.134563D+02  0.527363D-01  0.255959D+01
      2  -0.594643D+02 -0.383607D+00 -0.121552D+02 -0.282417D+02 -0.603929D+01
      3   0.426179D+03 -0.208684D+01  0.138264D+02  0.106513D+03  0.407868D+00
               181           182           183           184           185 
      1  -0.205996D+02 -0.288557D+02  0.954775D+00 -0.453878D+00 -0.465929D+02
      2  -0.277915D+02 -0.114862D+02  0.366262D+01 -0.193290D+02 -0.215470D+02
      3   0.135399D+03  0.112260D+03 -0.111122D+02  0.796464D+02  0.215564D+03
               186           187           188           189           190 
      1   0.435414D+00  0.159691D+02 -0.495978D+01 -0.249261D+01  0.100964D+02
      2  -0.651327D+01 -0.118625D+01 -0.419429D+02 -0.813749D+01  0.458195D+01
      3  -0.229336D+02  0.287003D+02  0.592593D+02  0.138643D+02 -0.513082D+02
               191           192           193           194           195 
      1  -0.108381D+02  0.393098D+01 -0.276831D+02  0.558262D+02 -0.868483D+01
      2  -0.753238D+01  0.883951D+01 -0.119536D+02  0.457343D+02 -0.167005D+01
      3   0.367894D+02 -0.125063D+02 -0.444835D+01 -0.315176D+03  0.419173D+02
               196           197           198           199           200 
      1   0.207231D+00  0.369770D+02  0.489608D+01  0.356847D+01  0.172730D+02
      2   0.194215D+02  0.217892D+02  0.103995D+02 -0.766170D+01 -0.538145D+01
      3  -0.761448D+01 -0.481624D+02 -0.113865D+02 -0.477896D+02 -0.430076D+02
               201           202           203           204           205 
      1   0.954758D+00  0.534903D+01  0.166315D+02 -0.295321D+01 -0.118582D+00
      2  -0.107610D+01  0.177650D+02  0.163500D+01 -0.301283D+01 -0.663414D+01
      3  -0.132730D+01 -0.212036D+03 -0.670013D+02  0.507115D+02 -0.950085D+02
               206           207           208           209           210 
      1   0.241371D+02  0.330892D+01  0.491919D+01  0.448996D+02  0.883604D+01
      2  -0.115955D+01  0.380987D+01  0.268888D+02  0.361497D+02  0.328861D+01
      3  -0.623691D+02  0.195474D+02 -0.212581D+03 -0.253458D+03  0.243991D+02
               211           212           213           214           215 
      1  -0.750525D+01  0.416044D+02 -0.453739D+01  0.300459D+02  0.173252D+02
      2   0.148634D+02  0.469817D+02 -0.623168D+00  0.508924D+00 -0.435556D+01
      3  -0.125848D+03 -0.282829D+03  0.118613D+02 -0.285948D+02 -0.604786D+02
               216           217           218           219           220 
      1  -0.690654D+01 -0.709779D+01 -0.444309D+02 -0.426262D+01  0.616564D+01
      2  -0.101486D+01 -0.401519D+02 -0.205248D+02  0.412002D+01  0.107288D+02
      3  -0.181460D+02  0.313498D+03  0.191565D+03 -0.581957D+02 -0.398242D+02
               221           222           223           224           225 
      1   0.546233D+01 -0.678979D+01 -0.113419D+02 -0.204711D+02 -0.107346D+02
      2  -0.804421D+01 -0.368383D+01 -0.199101D+02 -0.164436D+02 -0.722211D+01
      3   0.563937D+02  0.129478D+02 -0.354175D+02  0.959918D+01  0.424425D+02
               226           227           228           229           230 
      1   0.257410D+01 -0.264678D+01 -0.163101D+01  0.299766D+01 -0.306805D+02
      2  -0.222165D+01 -0.190113D+02 -0.348418D+01 -0.360139D+02 -0.481390D+01
      3  -0.564945D+02  0.849934D+02  0.222751D+02  0.339218D+03  0.107276D+03
               231           232           233           234           235 
      1   0.573075D+01 -0.386247D+01 -0.192053D+01 -0.324878D+01 -0.345956D+01
      2   0.999911D+01 -0.345657D+02 -0.748919D+01  0.747824D+01  0.948803D+01
      3  -0.848736D+02  0.112496D+03  0.305650D+02 -0.279658D+02 -0.485954D+02
               236           237           238           239           240 
      1   0.519011D+01  0.113759D+01  0.646187D+00  0.208925D+01 -0.344726D+01
      2   0.194554D+02 -0.265718D+01  0.160740D+01 -0.377545D+01  0.148222D+01
      3  -0.938704D+02  0.780957D+01  0.303771D+02  0.839135D+01 -0.326331D+01
               241           242           243           244           245 
      1  -0.106191D+02 -0.984009D+01 -0.798838D+01 -0.862806D+00 -0.841087D+01
      2  -0.198455D+02  0.260022D+01  0.106495D+02 -0.557304D+01 -0.792255D+01
      3   0.301089D+02  0.335782D+02 -0.357199D+00  0.707396D+02  0.415723D+02
               246           247           248           249           250 
      1  -0.872103D+01  0.151963D+02  0.300414D+01 -0.229694D+01 -0.138993D+02
      2   0.834245D+01 -0.756399D+00 -0.605040D+00 -0.431925D+01  0.640060D+01
      3  -0.908477D+01  0.125840D+02 -0.276100D+02 -0.108832D+02  0.480654D+00
               251           252           253           254           255 
      1   0.539596D+01  0.773081D+01  0.887366D+01  0.370027D+01 -0.566090D+01
      2   0.105278D+02 -0.553434D+01 -0.271255D+02 -0.437905D+01  0.174185D+01
      3  -0.262260D+02  0.181462D+02  0.160521D+03  0.401148D+02 -0.566214D+02
               256           257           258           259           260 
      1   0.448936D+01 -0.109499D+02 -0.407580D+01 -0.114274D+02  0.816302D+01
      2  -0.370947D+01  0.154416D+01  0.927089D+01 -0.122526D+02 -0.333255D+01
      3  -0.390913D+01  0.115666D+02 -0.119619D+02 -0.305550D+02 -0.192197D+02
               261           262           263           264           265 
      1   0.103023D+02 -0.880255D+01  0.184816D+01  0.458156D+01 -0.603385D+01
      2   0.795568D+01  0.127403D+02  0.103367D+02  0.412553D+00  0.609785D+01
      3   0.166315D+02 -0.145820D+03 -0.407552D+02  0.485625D+02 -0.903999D+01
               266           267           268           269           270 
      1  -0.367147D+01 -0.355563D+00  0.274679D+01  0.597617D+01  0.393338D+01
      2   0.241514D+00 -0.409295D+01 -0.109292D+02 -0.493257D+01 -0.287059D+01
      3   0.190383D+02  0.106801D+02 -0.527673D+01 -0.822814D+01  0.107037D+02
               271           272           273           274           275 
      1   0.211574D+01 -0.239291D+01  0.614756D+01  0.333630D+01 -0.355953D+01
      2   0.127824D+01 -0.120256D+01  0.297587D+01 -0.431969D+00  0.142702D+01
      3  -0.186913D+02  0.184586D+02 -0.236747D+01  0.169568D+02 -0.223545D+02
               276           277           278           279           280 
      1  -0.268612D+01  0.270539D+01  0.500615D+00  0.966527D-01 -0.535327D+01
      2  -0.110167D+01  0.102806D+01  0.281814D+00  0.410616D+00 -0.149135D+01
      3  -0.572090D+01 -0.949792D+01  0.202570D+01 -0.632523D+01  0.670802D+01
               281           282           283           284           285 
      1  -0.941643D+00 -0.697020D+01 -0.756485D+00 -0.120807D+02 -0.129800D+02
      2   0.616495D+00 -0.325549D+00 -0.116635D+01  0.161931D+01  0.212118D+01
      3  -0.466145D+01  0.680651D+01  0.903795D+00 -0.327166D+01 -0.330395D+01
               286           287           288           289           290 
      1  -0.121642D+01 -0.861892D+01 -0.636755D+01 -0.872112D+01  0.357935D+00
      2  -0.203735D+01  0.521035D+00  0.120916D+01  0.181749D+01  0.954235D+00
      3   0.771271D+01  0.165797D+01 -0.403975D-01  0.126472D+02 -0.215821D+01
               291           292           293           294           295 
      1  -0.601654D+01  0.393965D-01 -0.232608D+01 -0.156925D+01 -0.164719D+01
      2   0.795730D+01  0.369453D+01 -0.151859D+01  0.288218D+01 -0.174514D+01
      3   0.577957D+01 -0.598546D+01  0.101033D+02 -0.110761D+01  0.560211D+01
               296           297           298           299           300 
      1  -0.126731D+01 -0.598550D+00  0.602328D+00 -0.356682D+01 -0.925538D+00
      2   0.120187D+01  0.256524D+01  0.294309D+01  0.178369D+01  0.369196D+01
      3  -0.163091D+01 -0.108862D+01 -0.664929D+01  0.339441D+01 -0.545450D+01
               301           302           303           304           305 
      1  -0.144709D+01  0.396188D+00 -0.575745D+01  0.998057D+00  0.195692D+01
      2   0.159744D+01  0.129847D+02  0.854645D+01  0.212034D+01  0.225313D+01
      3  -0.188081D+01 -0.292597D+02 -0.122543D+02 -0.641111D+01 -0.800147D+01
               306           307           308           309           310 
      1  -0.352244D+01 -0.366931D+01  0.447131D+00  0.291667D+01  0.361120D+01
      2   0.488001D+01 -0.402306D+01 -0.226341D+00  0.488686D+01  0.377656D+01
      3  -0.503792D+01  0.134487D+02 -0.554311D+01  0.351659D+00 -0.916349D+01
               311           312           313           314           315 
      1  -0.507614D+01 -0.363129D+01 -0.205028D+00  0.107136D+01 -0.396284D+00
      2  -0.699365D+01 -0.472011D+01 -0.603906D+00  0.249612D+01 -0.663736D+00
      3   0.241439D+02  0.300505D+01 -0.179482D+01  0.589521D+01 -0.272800D+01
               316           317           318           319           320 
      1   0.130717D+01  0.631360D+00  0.319045D+00  0.809767D+00  0.329926D+01
      2   0.749284D+01  0.216573D-01  0.922379D+01  0.393730D+01  0.446639D+01
      3  -0.165437D+02 -0.315588D+01 -0.440213D+01 -0.769514D+01 -0.141116D+02
               321           322           323           324           325 
      1  -0.211520D-01 -0.266725D-01 -0.157686D+00 -0.648965D+00 -0.180812D+01
      2   0.246351D+01 -0.502849D+00 -0.185151D+01  0.195892D+01  0.254772D+01
      3  -0.339965D+01 -0.631572D+01 -0.163919D+01  0.188221D+01 -0.172119D+02
               326           327           328           329           330 
      1   0.276835D+01  0.440087D+01  0.424259D+01 -0.109762D+01 -0.521007D+01
      2   0.642651D+00  0.358183D+01  0.179394D+01  0.318583D+00 -0.331298D+01
      3  -0.303835D+01  0.185100D+01 -0.101465D+01 -0.453001D+01 -0.163101D+01
               331           332           333           334           335 
      1  -0.306414D+01 -0.102738D+01 -0.128083D+01 -0.120582D+01 -0.146539D+01
      2  -0.162742D+01  0.274298D-01 -0.134351D+01 -0.292813D+01 -0.260769D+01
      3  -0.137586D+01 -0.703406D+01  0.426864D+01  0.146474D+02  0.136302D+02
               336           337           338           339           340 
      1  -0.138751D+01 -0.121932D+01 -0.842173D+01 -0.921879D+01  0.286771D+01
      2   0.173813D+00 -0.173054D+01 -0.750758D+01 -0.259790D+01  0.985668D+00
      3   0.637856D+00  0.558262D+01  0.278646D+02  0.946746D+01 -0.327098D+01
               341           342           343           344           345 
      1   0.267407D+01 -0.299221D+01 -0.131001D+01 -0.102105D+01 -0.177640D+01
      2  -0.702474D+00 -0.327559D+00  0.989275D+00  0.147749D+00  0.736059D+00
      3   0.658306D+01  0.738811D-01  0.314188D+00  0.161277D+01  0.181021D+01
               346           347           348           349           350 
      1  -0.302179D+01 -0.755877D+01 -0.880002D+01 -0.587228D+00 -0.141683D+01
      2   0.477353D-01  0.365645D+01  0.285771D+01 -0.613037D+00  0.379554D+00
      3   0.493386D+01 -0.688422D+00  0.569918D+00  0.356359D+01 -0.267308D+01
               351           352           353           354           355 
      1  -0.294927D+01 -0.533959D+00 -0.439876D+00 -0.334731D+01 -0.257052D+01
      2   0.666105D+00 -0.136436D+01 -0.492897D+00  0.501717D+01  0.248461D+01
      3  -0.154764D+00  0.310412D+02  0.836553D+01 -0.197309D+01  0.669726D+01
               356           357           358           359           360 
      1  -0.129185D+01 -0.120263D+01  0.112031D+01  0.205160D+00 -0.840301D+00
      2   0.101960D+01  0.129993D+01 -0.151502D+01 -0.106999D+01  0.875088D+00
      3   0.278487D+01  0.224019D+01 -0.441178D+01  0.925780D+00 -0.118027D-02
               361           362           363           364           365 
      1   0.200332D+01 -0.527736D+01 -0.777418D+00  0.485436D+00  0.103273D+02
      2   0.728722D+01  0.297849D+01  0.144993D+02 -0.334334D+01 -0.505631D+01
      3   0.120126D+01 -0.346066D+02  0.432692D+01  0.189560D+02  0.395328D+02
               366           367           368           369           370 
      1  -0.613513D+01 -0.855318D+01  0.135548D+02  0.816835D+01 -0.608003D-02
      2  -0.605057D+01 -0.202441D+01 -0.685752D+01 -0.121949D+02 -0.228606D+01
      3  -0.321290D+01  0.155234D+02  0.153562D+02  0.185013D+02  0.918145D+00
               371           372           373           374           375 
      1   0.427926D+01 -0.685129D+00  0.320947D+00  0.724435D+01 -0.144462D+01
      2  -0.239357D+01 -0.924172D-01 -0.345544D+01 -0.450179D+01 -0.514575D-01
      3   0.126969D+01  0.166361D+01  0.940683D+01  0.146407D+02 -0.111582D+01
               376           377           378 
      1   0.120780D+01  0.512109D+01 -0.539612D+00
      2  -0.152666D+01 -0.106112D+01 -0.657617D+00
      3  -0.223140D+01  0.292677D+01  0.279667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.271940D+01 -0.374299D+01  0.302764D+01  0.159521D+01 -0.305815D+00
      2  -0.241152D+01  0.218008D+01  0.360488D+01  0.200386D+01 -0.156323D+01
      3  -0.307887D+00  0.156291D+01 -0.663252D+01 -0.359907D+01  0.186904D+01
      4   0.374018D+00 -0.914219D+00  0.725690D+00  0.227727D+00 -0.163971D+00
      5  -0.789035D+01  0.793442D+01  0.336621D+01  0.721117D+01 -0.860204D+01
      6   0.358623D+01 -0.558911D+01 -0.512991D+00 -0.274350D+01  0.667003D+01
                 6             7             8             9            10 
      1  -0.389147D+01  0.170569D+01 -0.354437D+01 -0.465706D+00 -0.101092D+02
      2  -0.507543D+01  0.123730D+01 -0.163449D+01 -0.220490D+01  0.143681D+02
      3   0.896690D+01 -0.294299D+01  0.517885D+01  0.267061D+01 -0.425890D+01
      4   0.729521D+00  0.164901D+01  0.564344D+00  0.125359D+00  0.188533D+02
      5  -0.482200D+01  0.238030D+01 -0.113470D+01 -0.450081D+01 -0.250764D+02
      6   0.339948D+01 -0.671049D+00  0.283338D+01  0.403390D+01  0.106957D+02
                11            12            13            14            15 
      1   0.107176D+02  0.137591D+02 -0.115148D+02  0.530336D+01 -0.853058D+01
      2   0.204547D+01  0.351346D+02  0.159652D+02 -0.316122D+01  0.148457D+02
      3  -0.127631D+02 -0.488937D+02 -0.445039D+01 -0.214214D+01 -0.631513D+01
      4   0.189370D+01  0.547643D+01  0.727308D+01  0.158269D+02  0.705704D+01
      5   0.610738D+01  0.370345D+01 -0.152101D+02  0.168213D+01 -0.114769D+01
      6  -0.515613D+01  0.156621D+02  0.126258D+02  0.495947D+01  0.133483D+02
                16            17            18            19            20 
      1  -0.831778D+01  0.351792D+01 -0.230452D+01  0.172763D+02 -0.150213D+02
      2   0.317581D+02 -0.654815D+01  0.269703D+02 -0.151514D+02  0.717067D+01
      3  -0.234403D+02  0.303023D+01 -0.246658D+02 -0.212494D+01  0.785059D+01
      4   0.113162D+02 -0.407693D+00  0.238022D+02 -0.215992D+02  0.704018D+01
      5  -0.133525D+02  0.176947D+02 -0.262729D+02  0.222224D+02 -0.208299D+02
      6   0.226576D+02 -0.117047D+02  0.203580D+02 -0.173534D+02  0.143805D+02
                21            22            23            24            25 
      1   0.170867D+02 -0.728744D+00  0.187137D+02  0.117952D+02  0.354090D+01
      2   0.429705D+01 -0.180684D+02 -0.101613D+02 -0.827360D+01 -0.201559D+02
      3  -0.213837D+02  0.187971D+02 -0.855240D+01 -0.352155D+01  0.166151D+02
      4  -0.159863D+02  0.101791D+02 -0.314349D+01 -0.143894D+01 -0.157296D+02
      5   0.284675D+01  0.143846D+02  0.104273D+02  0.183939D+02  0.230990D+02
      6   0.154219D+01  0.416873D+01 -0.970591D+01 -0.786351D+01 -0.207299D+02
                26            27            28            29            30 
      1   0.204030D+01 -0.253466D+02 -0.169840D+01  0.447641D+00 -0.327349D+01
      2   0.131437D+02 -0.458206D+02 -0.815554D+01 -0.154344D+01 -0.105998D+02
      3  -0.151840D+02  0.711672D+02  0.985393D+01  0.109580D+01  0.138732D+02
      4  -0.170389D+01 -0.172316D+02  0.537493D+00  0.283340D+01  0.873496D+00
      5  -0.176768D+02  0.997627D+01  0.687689D+01  0.358733D+01  0.131417D+02
      6   0.397005D+01 -0.456610D+02  0.117551D+01  0.187714D+01 -0.167173D+01
                31            32            33            34            35 
      1  -0.383212D+01 -0.124445D+02 -0.242370D+02 -0.507449D+01 -0.109713D+02
      2  -0.664093D+01 -0.120484D+02 -0.280210D+02 -0.112319D+02 -0.146860D+02
      3   0.104730D+02  0.244929D+02  0.522580D+02  0.163064D+02  0.256573D+02
      4   0.439975D+01  0.703661D+01  0.928857D+01  0.399864D+01  0.567813D+01
      5   0.573798D+01  0.609638D+01  0.968288D+01  0.116605D+02  0.861155D+01
      6   0.668500D+01  0.159448D+02  0.205200D+02  0.680250D+01  0.124264D+02
                36            37            38            39            40 
      1  -0.258277D+02  0.198754D+01  0.963027D+01 -0.773939D+01  0.302465D+02
      2  -0.345338D+02 -0.635695D+01 -0.195185D+02 -0.103460D+02 -0.177395D+02
      3   0.603615D+02  0.436941D+01  0.988819D+01  0.180854D+02 -0.125071D+02
      4   0.996673D+01 -0.159528D+01  0.844432D+01  0.486078D+01 -0.310364D+02
      5   0.187129D+02 -0.300499D+01  0.130314D+02 -0.136754D+01  0.189833D+02
      6   0.211735D+02  0.678990D+01 -0.992234D+00  0.659430D+01 -0.200986D+02
                41            42            43            44            45 
      1  -0.171229D+02  0.159291D+02 -0.219119D+02  0.404978D+01 -0.476959D+02
      2   0.693356D+01  0.150579D+02  0.154165D+01  0.365647D+01 -0.144197D+02
      3   0.101894D+02 -0.309870D+02  0.203702D+02 -0.770625D+01  0.621155D+02
      4   0.942072D+01 -0.147080D+02 -0.309040D+02  0.216792D+02 -0.240758D+02
      5  -0.196673D+02 -0.500289D+01  0.541752D+01 -0.221283D+02  0.144277D+02
      6   0.167427D+02  0.705492D+01 -0.366955D+02  0.392912D+02 -0.496313D+02
                46            47            48            49            50 
      1   0.257062D+02 -0.133462D+01  0.930040D+01 -0.437242D+01  0.110196D+01
      2  -0.470640D+02  0.670814D+01 -0.386301D+02 -0.210126D+01 -0.253716D+01
      3   0.213578D+02 -0.537352D+01  0.293297D+02  0.647368D+01  0.143520D+01
      4  -0.264472D+02  0.100318D+02 -0.202747D+02  0.967950D+01 -0.359204D+01
      5   0.674347D+02 -0.123947D+02  0.566917D+02 -0.226820D+01  0.690221D+01
      6  -0.266393D+02  0.110300D+02 -0.258494D+02  0.716143D+01 -0.360024D+01
                51            52            53            54            55 
      1  -0.423609D+01  0.138068D+02 -0.100156D+00  0.607415D+01  0.202138D+02
      2  -0.680496D+01 -0.380659D+02  0.204351D+01 -0.368774D+02 -0.964267D+01
      3   0.110410D+02  0.242591D+02 -0.194335D+01  0.308033D+02 -0.105711D+02
      4   0.612718D+01 -0.130227D+02  0.455961D+01 -0.115835D+02  0.147896D+02
      5   0.221276D+01  0.499490D+02 -0.536311D+01  0.477948D+02 -0.237745D+00
      6   0.418872D+01 -0.153241D+02  0.594196D+01 -0.155376D+02  0.139630D+02
                56            57            58            59            60 
      1   0.176033D+01  0.146743D+02  0.615103D+01 -0.172610D+02  0.168744D+02
      2   0.179507D+00 -0.856405D+01  0.251953D+02 -0.173101D+01  0.656355D+01
      3  -0.193983D+01 -0.611025D+01 -0.313464D+02  0.189920D+02 -0.234379D+02
      4  -0.163605D+02  0.145113D+02  0.836256D+01  0.888343D+00  0.265698D+02
      5   0.126088D+02  0.605329D+01 -0.265215D+02  0.199106D+02 -0.218034D+02
      6  -0.227518D+02  0.895450D+01  0.293560D+02 -0.350514D+02  0.416624D+02
                61            62            63            64            65 
      1  -0.141295D+02  0.219281D+02  0.137332D+02  0.128652D+02 -0.348589D+01
      2   0.287605D+02 -0.254567D+02  0.149720D+02  0.118257D+02 -0.180793D+02
      3  -0.146309D+02  0.352862D+01 -0.287052D+02 -0.246909D+02  0.215652D+02
      4   0.349124D+02  0.114900D+01  0.155958D+02 -0.479560D+02  0.440035D+02
      5  -0.194625D+02  0.162804D+02 -0.994753D+01  0.156301D+02 -0.135705D+02
      6   0.237437D+02  0.127139D+01  0.134703D+02 -0.207916D+02  0.228213D+02
                66            67            68            69            70 
      1  -0.444700D+00 -0.595932D+01 -0.283335D+01  0.192883D+01  0.204877D+01
      2   0.256839D+01 -0.212772D+02  0.334108D+02 -0.430397D+01 -0.404005D+01
      3  -0.212369D+01  0.272366D+02 -0.305775D+02  0.237514D+01  0.199128D+01
      4  -0.102775D+02  0.467066D+02 -0.498417D+02  0.653233D+01 -0.124541D+00
      5   0.772354D+01 -0.100367D+02  0.986416D+01 -0.505286D+01  0.616273D+01
      6  -0.994817D+01  0.187724D+02 -0.239093D+02  0.813313D+01 -0.502592D+01
                71            72            73            74            75 
      1  -0.210053D+01 -0.243614D+00 -0.275096D+02 -0.214469D+01 -0.262899D+02
      2   0.766957D+01  0.248259D+01 -0.204005D+02  0.580459D+01 -0.259573D+02
      3  -0.556904D+01 -0.223898D+01  0.479101D+02 -0.365990D+01  0.522472D+02
      4  -0.367014D+01 -0.560290D+01 -0.456041D+02  0.150695D+02 -0.330327D+02
      5  -0.438331D+01  0.195417D+01  0.201516D+02 -0.151944D+02  0.201185D+02
      6   0.336462D+01 -0.253376D+01 -0.369126D+02  0.488768D+01 -0.321760D+02
                76            77            78            79            80 
      1   0.406792D+02 -0.326216D+02  0.279296D+02 -0.455189D+00 -0.561892D+01
      2   0.419613D+02  0.423437D+02  0.810281D+02  0.123796D+02  0.126861D+02
      3  -0.826404D+02 -0.972211D+01 -0.108958D+03 -0.119244D+02 -0.706721D+01
      4   0.482332D+02 -0.322950D+02  0.449374D+02  0.126403D+01 -0.851116D+01
      5  -0.440670D+02 -0.314984D-01 -0.428947D+02 -0.650934D+01 -0.646471D+01
      6   0.581704D+02 -0.938695D+01  0.671676D+02  0.604366D+01  0.120251D+02
                81            82            83            84            85 
      1  -0.451277D+01 -0.559129D+02  0.916887D+02 -0.132384D+02 -0.181356D+02
      2   0.358954D+02 -0.188735D+01 -0.817621D+02 -0.331380D+02 -0.103162D+02
      3  -0.313826D+02  0.578003D+02 -0.992657D+01  0.463765D+02  0.284518D+02
      4   0.187493D+01 -0.412514D+02  0.207194D+02 -0.216052D+02 -0.261353D+02
      5  -0.193370D+02  0.139700D+02  0.570711D+01  0.269554D+02  0.115978D+02
      6   0.117642D+02 -0.212984D+02 -0.104299D+02 -0.471337D+02 -0.110867D+02
                86            87            88            89            90 
      1  -0.109720D+02  0.123668D+01 -0.480628D+02  0.864307D+02 -0.341948D+02
      2   0.109475D+02 -0.439374D+02  0.576969D+00 -0.101684D+03 -0.207266D+02
      3   0.244853D-01  0.427007D+02  0.474858D+02  0.152530D+02  0.549214D+02
      4   0.332933D+02 -0.666222D+01 -0.170841D+02  0.144528D+02 -0.288223D+02
      5   0.217733D+01  0.189332D+02  0.297921D+02  0.702900D+00  0.232753D+02
      6  -0.164006D+02 -0.123312D+02 -0.455307D+02  0.356859D+02 -0.554650D+02
                91            92            93            94            95 
      1   0.644853D+02 -0.279266D+02  0.410690D+02 -0.103166D+02  0.485348D+01
      2   0.229042D+02  0.248455D+02  0.511590D+02 -0.464410D+02 -0.117309D+02
      3  -0.873895D+02  0.308117D+01 -0.922280D+02  0.567576D+02  0.687740D+01
      4   0.632011D+02 -0.295892D+02  0.487930D+02 -0.321012D+02  0.438770D+01
      5  -0.372494D+02  0.303820D+00 -0.308738D+02  0.280019D+02 -0.772346D+01
      6   0.573376D+02 -0.899425D+01  0.628314D+02 -0.453713D+02  0.329646D+01
                96            97            98            99           100 
      1  -0.952852D+01  0.246791D+02 -0.150977D+02  0.212894D+02 -0.324266D+02
      2  -0.608149D+02 -0.126075D+02  0.932713D+01 -0.527949D+01 -0.152608D+02
      3   0.703435D+02 -0.120716D+02  0.577057D+01 -0.160099D+02  0.476874D+02
      4  -0.399138D+02  0.118583D+02 -0.257840D+02  0.833370D+01 -0.349391D+02
      5   0.363464D+02 -0.761609D+00 -0.286847D+01 -0.312809D+01  0.417338D+01
      6  -0.478499D+02  0.652474D+01 -0.436476D+01  0.682761D+01 -0.286697D+02
               101           102           103           104           105 
      1  -0.180433D+02 -0.228768D+02 -0.120619D+03  0.171010D+03 -0.771755D+02
      2   0.660080D+01 -0.217749D+02  0.531066D+02 -0.130891D+03  0.308458D+02
      3   0.114425D+02  0.446518D+02  0.675121D+02 -0.401195D+02  0.463297D+02
      4   0.378337D+02 -0.268245D+02 -0.552808D+02 -0.129063D+02 -0.432919D+02
      5   0.143125D+02  0.146341D+02  0.342379D+01 -0.386534D+02  0.528884D+00
      6   0.415145D+01 -0.269177D+02 -0.556792D+02  0.198239D+02 -0.322620D+02
               106           107           108           109           110 
      1  -0.858989D+02  0.732647D+02 -0.494290D+02 -0.125833D+02  0.494389D+02
      2   0.252917D+02 -0.503462D+02 -0.374936D+01  0.492177D+02 -0.576120D+02
      3   0.606071D+02 -0.229185D+02  0.531784D+02 -0.366343D+02  0.817314D+01
      4  -0.416190D+02  0.988775D+01 -0.334858D+02  0.523534D+02  0.274137D+02
      5   0.756564D+01 -0.121507D+02 -0.838660D+00  0.908595D+01  0.122360D+02
      6  -0.413146D+02  0.906834D+01 -0.372135D+02  0.346799D+02 -0.105155D+02
               111           112           113           114           115 
      1   0.273375D+02  0.146638D+03 -0.199902D+03  0.893059D+02  0.618341D+02
      2   0.527312D+01 -0.649306D+02  0.157917D+03 -0.225779D+02 -0.105886D+02
      3  -0.326107D+02 -0.817071D+02  0.419856D+02 -0.667280D+02 -0.512455D+02
      4   0.396960D+02  0.608171D+02 -0.148201D+02  0.407079D+02  0.407344D+02
      5   0.439914D+01 -0.995355D+01  0.377045D+02 -0.381033D+01 -0.243153D+01
      6   0.220731D+02  0.578092D+02 -0.243817D+02  0.383730D+02  0.420896D+02
               116           117           118           119           120 
      1  -0.573248D+02  0.356954D+02  0.100555D+03 -0.155347D+03  0.527900D+02
      2   0.242119D+02 -0.254972D+00 -0.434783D+02  0.159264D+03 -0.380134D+01
      3   0.331129D+02 -0.354405D+02 -0.570763D+02 -0.391694D+01 -0.489886D+02
      4  -0.133156D+02  0.412502D+02  0.503447D+02 -0.489110D+02  0.178478D+02
      5   0.302555D+02 -0.331408D+01 -0.222731D+02  0.604712D+00 -0.196044D+02
      6   0.836322D+00  0.373491D+02  0.275197D+02 -0.380706D+02  0.256751D+02
               121           122           123           124           125 
      1  -0.554952D+02  0.814472D+02 -0.191209D+02  0.522686D+02 -0.466589D+02
      2   0.456228D+02 -0.527316D+02  0.729301D+01 -0.365674D+02  0.370728D+02
      3   0.987237D+01 -0.287156D+02  0.118279D+02 -0.157012D+02  0.958610D+01
      4   0.742748D+01  0.260920D+02 -0.457213D+01  0.163807D+02 -0.430376D+02
      5   0.611645D+01 -0.155134D+02  0.594774D+01 -0.171159D+01 -0.255661D+01
      6  -0.134130D+02 -0.106205D+02 -0.175970D+02  0.227769D+02 -0.743987D+01
               126           127           128           129           130 
      1   0.128809D+02 -0.117150D+03  0.143656D+03 -0.434320D+02 -0.117551D+02
      2   0.285177D+01  0.720858D+02 -0.573713D+02  0.302188D+02  0.885771D+01
      3  -0.157326D+02  0.450644D+02 -0.862842D+02  0.132132D+02  0.289735D+01
      4   0.918587D+01 -0.923525D+01 -0.140258D+03 -0.321378D+01 -0.181828D+01
      5  -0.189173D+02 -0.130925D+02 -0.104455D+03  0.338140D+00 -0.143354D+02
      6   0.502650D+02 -0.182939D+02  0.496114D+01 -0.703779D+01  0.168070D+02
               131           132           133           134           135 
      1  -0.604580D+02  0.122585D+02 -0.307985D+02  0.196852D+02 -0.127884D+02
      2   0.707472D+02 -0.202816D+02  0.258643D+02  0.983639D+01  0.415050D+01
      3  -0.102892D+02  0.802313D+01  0.493421D+01 -0.295216D+02  0.863790D+01
      4  -0.539162D+02  0.117447D+02  0.727660D+01 -0.570824D+02  0.243872D+01
      5  -0.412871D+02  0.582484D+01 -0.151011D+02 -0.439686D+02 -0.752082D+01
      6  -0.604229D+01 -0.347426D+01  0.370358D+00  0.134652D+01  0.151689D+01
               136           137           138           139           140 
      1   0.139774D+03 -0.145864D+03  0.463553D+02 -0.269781D+02  0.572599D+02
      2  -0.760685D+02  0.553567D+02 -0.190788D+02  0.222122D+02 -0.862647D+02
      3  -0.637050D+02  0.905076D+02 -0.272764D+02  0.476587D+01  0.290048D+02
      4  -0.289272D+01  0.131548D+03 -0.781801D+01  0.472147D+02  0.696811D+02
      5   0.137838D+02  0.110265D+03 -0.805061D+01  0.168723D+02  0.505385D+02
      6   0.112480D+02 -0.167734D+01  0.888577D+01  0.176579D+02 -0.294729D+01
               141           142           143           144           145 
      1  -0.245935D+01  0.937010D+01 -0.297769D+02  0.228508D+02  0.281524D+02
      2   0.592819D+01 -0.882840D+01 -0.287782D+01 -0.244576D+02  0.925151D+01
      3  -0.346884D+01 -0.541698D+00  0.326547D+02  0.160682D+01 -0.374039D+02
      4   0.167042D+02  0.522958D+01  0.571179D+02  0.110308D+02  0.547151D+02
      5   0.553944D+01  0.335117D+02  0.545618D+02  0.118646D+02 -0.162652D+02
      6   0.544744D+01  0.167026D+02 -0.297196D+00 -0.115236D+01  0.180631D+02
               146           147           148           149           150 
      1  -0.287628D+02  0.365080D+01 -0.141213D+02  0.263010D+02 -0.342237D+02
      2   0.149431D+02  0.229008D+00 -0.961696D+01  0.425520D+02  0.250813D+02
      3   0.138197D+02 -0.387980D+01  0.237382D+02 -0.688530D+02  0.914240D+01
      4   0.536370D+02  0.240084D+02 -0.583185D+02 -0.116333D+03 -0.365799D+02
      5   0.175300D+02  0.110191D+02 -0.353369D+02 -0.881351D+02 -0.241971D+02
      6   0.988410D+01  0.209941D+02 -0.452031D+02 -0.263529D+01 -0.271318D+02
               151           152           153           154           155 
      1  -0.262881D+02 -0.165695D+02  0.378295D+01 -0.444009D+02  0.201602D+02
      2  -0.111645D+02  0.236910D+02 -0.215961D+02 -0.115311D+02  0.429463D+02
      3   0.374526D+02 -0.712149D+01  0.178132D+02  0.559319D+02 -0.631065D+02
      4  -0.392244D+02 -0.245791D+02  0.750038D+01 -0.718733D+02 -0.390265D+02
      5   0.237563D+02 -0.190558D+02  0.262499D+02 -0.162403D+02 -0.571211D+02
      6   0.874367D+01  0.534060D+01  0.981787D+01 -0.515610D+02 -0.806437D+00
               156           157           158           159           160 
      1  -0.406932D+02  0.589696D+02 -0.900678D+01  0.393812D+02 -0.264550D+01
      2   0.146907D+02 -0.224980D+02 -0.390094D+01 -0.315873D+02 -0.244371D+02
      3   0.260024D+02 -0.364716D+02  0.129077D+02 -0.779384D+01  0.270826D+02
      4  -0.569799D+02  0.705331D+02  0.734642D+02  0.117912D+02 -0.296174D+02
      5  -0.230504D+02  0.180953D+02  0.291683D+02  0.145052D+02  0.997113D+01
      6  -0.396572D+02  0.169637D+02 -0.167265D+02  0.953621D+01 -0.133717D+02
               161           162           163           164           165 
      1  -0.967204D+01 -0.270144D+02 -0.937202D+02 -0.811476D+02  0.217155D+00
      2  -0.176853D+02 -0.955053D+01  0.640284D+02  0.980174D+02  0.120305D+01
      3   0.273573D+02  0.365650D+02  0.296918D+02 -0.168697D+02 -0.142021D+01
      4  -0.274880D+02 -0.120043D+01  0.644254D+02 -0.978175D+01 -0.135289D+02
      5   0.147025D+02  0.164987D+02 -0.553570D+02 -0.666863D+02  0.129583D+01
      6   0.228383D+02  0.401697D+01 -0.715197D+01  0.288335D+02  0.496994D+00
               166           167           168           169           170 
      1   0.743396D+02  0.518574D+02  0.397734D+00  0.255469D+02  0.100781D+02
      2  -0.546632D+02 -0.104065D+03  0.533792D+01 -0.198938D+02 -0.215255D+02
      3  -0.196764D+02  0.522072D+02 -0.573566D+01 -0.565310D+01  0.114474D+02
      4  -0.154666D+02  0.929965D+02 -0.878058D+01  0.589654D+00  0.316237D+02
      5   0.398627D+02  0.879912D+02 -0.687788D+01  0.583886D+01  0.313761D+02
      6  -0.147500D+02 -0.145346D+02 -0.138249D+01  0.154221D+00 -0.329792D+01
               171           172           173           174           175 
      1  -0.695575D+01  0.121297D+03  0.288146D+02 -0.702316D+01 -0.578037D+02
      2  -0.260356D+01 -0.746285D+02 -0.442089D+02  0.109788D+02  0.467621D+02
      3   0.955931D+01 -0.466682D+02  0.153943D+02 -0.395569D+01  0.110416D+02
      4   0.154391D+01 -0.815694D+02 -0.608965D+01 -0.237969D+01  0.733767D+01
      5   0.259505D+01  0.487214D+02  0.563680D+02 -0.989363D+01 -0.607972D+02
      6  -0.158939D+01 -0.130696D+02 -0.128902D+02 -0.179568D+01  0.314960D+01
               176           177           178           179           180 
      1  -0.943729D+02 -0.284323D+01 -0.278663D+01 -0.190381D+02 -0.552882D+00
      2   0.161158D+03  0.742752D+01  0.116489D+02  0.391292D+02  0.259112D+00
      3  -0.667847D+02 -0.458430D+01 -0.886225D+01 -0.200911D+02  0.293770D+00
      4  -0.101267D+03 -0.413053D+01 -0.543281D+01 -0.216446D+02 -0.184855D+02
      5  -0.120166D+03  0.392754D+01  0.162872D+01 -0.441618D+02 -0.967218D+01
      6   0.448275D+02  0.270889D+00 -0.138769D+02  0.260399D+02 -0.141177D+01
               181           182           183           184           185 
      1  -0.647889D+02  0.740824D+01  0.557216D+01 -0.145528D+03  0.366317D+02
      2   0.318552D+02 -0.102098D+02 -0.699805D+01  0.102818D+03 -0.231042D+02
      3   0.329338D+02  0.280156D+01  0.142589D+01  0.427097D+02 -0.135275D+02
      4   0.563588D+02  0.177480D+02  0.102481D+02  0.457582D+02 -0.267117D+02
      5  -0.279003D+02 -0.148668D+02  0.116157D+02 -0.380517D+02 -0.245807D+02
      6   0.142043D+02 -0.256105D+01 -0.239576D+01  0.242564D+02 -0.910340D+01
               186           187           188           189           190 
      1  -0.170562D+02 -0.723893D+02  0.270259D+02  0.191972D+02 -0.864196D+00
      2   0.743706D+01  0.503653D+02 -0.256287D+02 -0.158172D+02 -0.305644D+01
      3   0.961911D+01  0.220240D+02 -0.139727D+01 -0.337992D+01  0.392064D+01
      4   0.318104D+02  0.128575D+02  0.136155D+02 -0.184651D+02 -0.111927D+02
      5  -0.135512D+02  0.335563D+02 -0.521120D+02 -0.134645D+02 -0.162057D+02
      6   0.117605D+02 -0.671117D+01  0.181386D+02 -0.271452D+01  0.695464D-01
               191           192           193           194           195 
      1   0.439966D+02 -0.268978D+02  0.160036D+03 -0.107348D+03  0.120326D+01
      2  -0.379701D+02  0.148359D+02 -0.974033D+02  0.728693D+02  0.913858D+01
      3  -0.602650D+01  0.120619D+02 -0.626326D+02  0.344786D+02 -0.103418D+02
      4   0.179259D+02  0.385083D+01 -0.743623D+02  0.558145D+02 -0.254449D+02
      5  -0.399427D+01  0.119166D+02 -0.139714D+02  0.492054D+02 -0.508290D-01
      6  -0.160670D+01  0.115426D+01 -0.136960D+02  0.487790D+01 -0.235659D+01
               196           197           198           199           200 
      1   0.675581D+01 -0.327842D+02  0.237076D+02  0.446558D+02  0.473849D+02
      2  -0.109122D+02  0.197402D+02 -0.243741D+02 -0.445908D+02 -0.483283D+02
      3   0.415642D+01  0.130440D+02  0.666523D+00 -0.649389D-01  0.943311D+00
      4  -0.463697D+02  0.863229D+01 -0.119320D+02 -0.371361D+02 -0.210083D+02
      5   0.521310D+02  0.222097D+02  0.225557D+02  0.231945D+02  0.324337D+02
      6  -0.161992D+02  0.180079D+01 -0.123044D+02  0.553436D+01 -0.179676D+02
               201           202           203           204           205 
      1  -0.625175D+01 -0.351357D+01  0.286633D+02  0.982761D+01  0.144179D+01
      2   0.520466D+00  0.252397D+02 -0.403293D+02 -0.190649D+02  0.104372D+02
      3   0.573128D+01 -0.217261D+02  0.116660D+02  0.923730D+01 -0.118789D+02
      4   0.108740D+02 -0.132048D+03 -0.321033D+02  0.309161D+02 -0.524835D+02
      5   0.311631D+01  0.526997D+02  0.124764D+02 -0.112837D+02  0.248212D+02
      6  -0.543751D+01  0.252798D+02 -0.797541D+01 -0.520281D+01  0.101528D+02
               206           207           208           209           210 
      1   0.704175D+01  0.436411D+01  0.587913D+01  0.116159D+03  0.168371D+02
      2  -0.827174D+01 -0.125570D+02 -0.961553D+01 -0.149404D+03 -0.103794D+02
      3   0.122999D+01  0.819290D+01  0.373640D+01  0.332450D+02 -0.645779D+01
      4  -0.714178D+01  0.988671D+01 -0.477653D+02  0.327406D+02  0.204303D+02
      5   0.510004D+01 -0.509615D+00  0.537786D+02  0.618826D+02  0.838293D+01
      6  -0.232224D+01 -0.627430D+01  0.483337D+01 -0.387158D+02 -0.257592D+02
               211           212           213           214           215 
      1   0.186284D+02  0.691897D+02  0.271196D+01 -0.513814D+01  0.210123D+02
      2  -0.290295D+02 -0.113636D+03 -0.499465D+01  0.190484D+02 -0.436479D+02
      3   0.104010D+02  0.444465D+02  0.228269D+01 -0.139102D+02  0.226356D+02
      4  -0.150574D+01  0.557293D+02  0.212747D+02 -0.517642D+01  0.262053D+02
      5   0.302204D+02  0.877107D+02  0.112831D+01  0.360362D+02  0.120731D+02
      6   0.135975D+02 -0.446458D+02 -0.449402D+01 -0.366940D+02  0.857009D+01
               216           217           218           219           220 
      1  -0.657870D+01  0.192723D+02 -0.824812D+02 -0.134169D+02 -0.202590D+02
      2   0.373212D+00 -0.307018D+02  0.114075D+03  0.136288D+02  0.212170D+02
      3   0.620549D+01  0.114295D+02 -0.315940D+02 -0.211871D+00 -0.957997D+00
      4  -0.263861D+02  0.115864D+03 -0.420300D+02 -0.416208D+02 -0.834078D+01
      5  -0.108445D+02 -0.645759D+02 -0.681509D+02 -0.254053D+01  0.150306D+02
      6   0.111823D+02 -0.217787D+02  0.331888D+02  0.240229D+02  0.195178D+01
               221           222           223           224           225 
      1  -0.187912D+02  0.175308D+02 -0.116841D+02  0.845092D+01 -0.246712D+02
      2   0.322458D+02 -0.260944D+02  0.626869D+01 -0.361769D+02  0.139588D+02
      3  -0.134546D+02  0.856363D+01  0.541538D+01  0.277260D+02  0.107123D+02
      4  -0.380305D+02  0.488445D+01 -0.101023D+02 -0.313982D+01  0.217298D-02
      5  -0.948939D+01 -0.621850D+01  0.722335D+01 -0.175614D+02 -0.128008D+02
      6  -0.211961D+02  0.271176D+01  0.169721D+02  0.474961D+02  0.165210D+02
               226           227           228           229           230 
      1  -0.634956D+02  0.391769D+01  0.113403D+02  0.132522D+02 -0.430441D+02
      2   0.597598D+02 -0.234515D+01 -0.127436D+02 -0.338289D+02  0.631963D+02
      3   0.373585D+01 -0.157254D+01  0.140331D+01  0.205767D+02 -0.201522D+02
      4  -0.266620D+02  0.264365D+02  0.225929D+02  0.136195D+03  0.364076D+02
      5   0.200447D+02  0.858486D+01 -0.880806D+01 -0.654856D+02 -0.227385D+02
      6   0.134509D+02 -0.110112D+01 -0.398722D+01 -0.278569D+02  0.128192D+02
               231           232           233           234           235 
      1  -0.717076D+01  0.107030D+02 -0.409139D+01 -0.200254D+02  0.484423D+02
      2   0.258275D+02 -0.171753D+02  0.735019D+01  0.187091D+02 -0.416447D+02
      3  -0.186567D+02  0.647236D+01 -0.325880D+01  0.131623D+01 -0.679757D+01
      4  -0.331059D+02  0.478517D+02  0.120945D+02 -0.126147D+02 -0.262977D+02
      5   0.133885D+02 -0.271997D+02 -0.573759D+01  0.981134D+01 -0.513308D+01
      6   0.755659D+01 -0.109286D+02  0.176439D+02  0.819335D+01 -0.914281D+00
               236           237           238           239           240 
      1   0.233883D+01 -0.141939D+02 -0.454386D+01  0.603504D+01  0.172259D+02
      2  -0.192978D+02  0.718224D+01  0.905701D+01 -0.812907D+00 -0.229729D+02
      3   0.169590D+02  0.701163D+01 -0.451315D+01 -0.522213D+01  0.574699D+01
      4  -0.592531D+02 -0.121241D+02  0.335542D+02  0.177621D+02 -0.110952D+02
      5  -0.667162D+01 -0.224658D+01  0.337339D+01 -0.110295D+02 -0.639626D+00
      6   0.843847D+01  0.107562D+00 -0.878750D+01 -0.265450D+02  0.430213D+01
               241           242           243           244           245 
      1  -0.889663D+01  0.207310D+02 -0.879816D+01 -0.565044D+01 -0.302789D+02
      2   0.599733D+01 -0.274080D+02  0.770601D+01 -0.361424D+01  0.412063D+02
      3   0.289930D+01  0.667696D+01  0.109214D+01  0.926468D+01 -0.109274D+02
      4   0.264265D+02  0.102109D+02  0.144084D+02  0.304412D+02  0.411982D+02
      5   0.103072D+02  0.109728D+02  0.980287D+01 -0.172582D+02  0.496851D+01
      6   0.947326D+01  0.217911D+02  0.118634D+02 -0.323070D+00  0.208375D+01
               246           247           248           249           250 
      1  -0.638105D+01  0.485034D+02 -0.182869D+02 -0.226045D+02  0.382933D+02
      2   0.108101D+02 -0.545250D+02  0.496302D+01  0.193631D+02 -0.372394D+02
      3  -0.442902D+01  0.602162D+01  0.133238D+02  0.324140D+01 -0.105397D+01
      4   0.416728D+01 -0.133119D+02 -0.418169D+02 -0.245839D+02 -0.178880D+02
      5   0.217006D+02 -0.449514D+02 -0.114736D+02  0.896313D+01  0.152922D+02
      6   0.128528D+02 -0.231994D+02 -0.329682D+01  0.569253D+01  0.179313D+02
               251           252           253           254           255 
      1   0.354155D+01 -0.797360D+01  0.187624D+02  0.195094D+02 -0.989507D+01
      2  -0.146528D+02  0.309392D+01 -0.263333D+02  0.509614D+01  0.900268D+01
      3   0.111112D+02  0.487968D+01  0.757082D+01 -0.246056D+02  0.892392D+00
      4  -0.406538D+02  0.135559D+02  0.758920D+02  0.191674D+02 -0.108696D+02
      5   0.713197D+01 -0.791365D+01 -0.275791D+02  0.763243D+00 -0.102921D+01
      6   0.189791D+02 -0.947957D+01 -0.625081D+01  0.811975D+01  0.492575D+01
               256           257           258           259           260 
      1  -0.276494D+02  0.897280D+01  0.110385D+02 -0.784897D+01 -0.286689D+01
      2   0.362159D+02 -0.803005D+00 -0.591706D+00  0.164055D+02  0.415398D+01
      3  -0.856657D+01 -0.816980D+01 -0.104468D+02 -0.855654D+01 -0.128709D+01
      4  -0.912306D+01  0.417903D+02  0.144030D+02 -0.224605D+02  0.100913D+02
      5   0.104122D+02  0.978706D+01  0.924694D+01  0.190842D+02  0.840372D+01
      6   0.128017D+02 -0.219310D+01 -0.319728D+01  0.185690D+02  0.282964D+01
               261           262           263           264           265 
      1   0.683907D+01 -0.416752D+02 -0.123482D+02  0.146567D+02 -0.131630D+02
      2  -0.930358D+01  0.520668D+02 -0.445500D+01 -0.242876D+02  0.998510D+01
      3   0.246451D+01 -0.103916D+02  0.168032D+02  0.963098D+01  0.317794D+01
      4   0.151412D+02 -0.733862D+02 -0.217474D+02  0.810156D+01  0.110521D+02
      5  -0.347256D+01  0.448002D+02 -0.153633D+02 -0.149175D+02  0.164077D+02
      6  -0.129760D+02  0.678407D+01  0.169446D+01 -0.373058D+01 -0.220193D+01
               266           267           268           269           270 
      1   0.802572D+01  0.798277D+01 -0.116652D+00  0.905078D+01 -0.101388D+02
      2  -0.152282D+02 -0.722525D+01 -0.822181D+00 -0.325081D+01 -0.995327D+01
      3   0.720247D+01 -0.757511D+00  0.938833D+00 -0.579997D+01  0.200920D+02
      4  -0.108937D+02  0.589419D-01  0.134597D+02  0.820300D+01 -0.889742D+01
      5   0.334467D+01 -0.976803D+01  0.271423D+01 -0.807697D+01  0.395815D+00
      6  -0.697737D+01  0.950384D+00 -0.202010D+01  0.169254D+01 -0.939395D+01
               271           272           273           274           275 
      1  -0.972745D+01  0.229690D+02 -0.161431D+01  0.157948D+02 -0.383253D+02
      2   0.309988D+02 -0.536449D+02 -0.468510D+00 -0.370923D+02  0.813430D+02
      3  -0.212714D+02  0.306759D+02  0.208282D+01  0.212976D+02 -0.430177D+02
      4  -0.336488D+02  0.450866D+02  0.185859D+01  0.315556D+02 -0.493244D+02
      5  -0.267472D+01  0.401046D+01  0.351898D+01  0.568483D+01 -0.809600D+01
      6  -0.345646D+01  0.601296D+01 -0.748901D+01 -0.357753D+01  0.250431D+01
               276           277           278           279           280 
      1  -0.410211D+01  0.187088D+01 -0.883089D+01 -0.260053D+01 -0.187039D+01
      2   0.625974D+01 -0.612388D+01  0.144403D+02  0.247600D+01  0.558218D+01
      3  -0.215763D+01  0.425300D+01 -0.560940D+01  0.124534D+00 -0.371178D+01
      4  -0.542031D+01 -0.387182D+01 -0.193336D+00 -0.652835D+01  0.791672D+01
      5  -0.264890D+01  0.299522D+01 -0.401630D+01 -0.810013D-01  0.124046D+01
      6   0.586069D+01 -0.529684D+01  0.720968D+01  0.146030D+01  0.853631D+01
               281           282           283           284           285 
      1  -0.921297D+01 -0.388610D+01 -0.673669D+01 -0.612632D+02 -0.300042D+02
      2   0.124286D+02  0.541657D+01  0.975494D+01  0.963067D+02  0.396488D+02
      3  -0.321560D+01 -0.153048D+01 -0.301825D+01 -0.350435D+02 -0.964461D+01
      4   0.145703D+02  0.100256D+02  0.841565D+01  0.257652D+02  0.999846D+01
      5   0.418084D+01  0.286378D+01  0.186972D+01 -0.126780D+01 -0.772299D-01
      6   0.978808D+01  0.106488D+02  0.504126D+01  0.499395D+02  0.331728D+02
               286           287           288           289           290 
      1  -0.520203D+01 -0.333416D+02 -0.215460D+02  0.107607D+03  0.265569D+02
      2   0.116119D+02  0.473779D+02  0.264626D+02 -0.672399D+02 -0.142372D+02
      3  -0.640982D+01 -0.140363D+02 -0.491652D+01 -0.403670D+02 -0.123197D+02
      4   0.107416D+02  0.192065D+02  0.122463D+02  0.652225D+02  0.257850D+02
      5   0.192881D+01  0.199500D+01  0.324035D+01  0.575334D+02  0.146827D+02
      6   0.484504D+01  0.359167D+02  0.235287D+02  0.170175D+02  0.716793D+01
               291           292           293           294           295 
      1   0.381948D+02  0.602920D+01  0.146524D+02  0.406592D+01  0.379258D+02
      2  -0.290278D+02 -0.146918D+01 -0.509275D+01 -0.289387D+01 -0.226325D+02
      3  -0.916700D+01 -0.456002D+01 -0.955969D+01 -0.117204D+01 -0.152933D+02
      4   0.249796D+02  0.242692D+02  0.130567D+02  0.114672D+02  0.280914D+02
      5   0.337909D+02  0.116398D+02  0.587883D+01  0.810841D+01  0.246841D+02
      6   0.103086D+02  0.925289D+01  0.434537D+01  0.657137D+01  0.798421D+01
               296           297           298           299           300 
      1   0.765113D+01  0.159352D+02  0.677033D+00  0.556358D+01 -0.838481D+00
      2  -0.450071D+01 -0.119366D+02  0.460068D+01  0.118660D+01  0.121085D+01
      3  -0.315043D+01 -0.399858D+01 -0.527771D+01 -0.675018D+01 -0.372366D+00
      4   0.102061D+02  0.125528D+02  0.199592D+02  0.254041D+02  0.147420D+02
      5   0.977239D+01  0.158232D+02  0.945904D+01  0.126604D+02  0.106509D+02
      6   0.528352D+01  0.550943D+01  0.104836D+02  0.132140D+02  0.874789D+01
               301           302           303           304           305 
      1  -0.610017D+01 -0.355196D+02 -0.171647D+02 -0.565140D+01 -0.942294D+01
      2   0.184545D+02  0.552142D+02  0.207571D+02  0.840188D+01  0.219325D+02
      3  -0.123543D+02 -0.196947D+02 -0.359235D+01 -0.275047D+01 -0.125095D+02
      4   0.354822D+02  0.696740D+02  0.341115D+02  0.228598D+02  0.407669D+02
      5   0.125465D+02  0.264606D+02  0.176542D+02  0.121846D+02  0.140612D+02
      6   0.204183D+02  0.517559D+02  0.321710D+02  0.140143D+02  0.273838D+02
               306           307           308           309           310 
      1  -0.925989D+01  0.785861D+02 -0.433436D+02 -0.370554D+01 -0.444104D+02
      2   0.905161D+01 -0.297470D+02  0.135785D+02  0.214584D+01  0.810434D+01
      3   0.208281D+00 -0.488391D+02  0.297650D+02  0.155970D+01  0.363061D+02
      4   0.209974D+02 -0.765321D+02  0.520857D+02  0.160737D+01  0.678020D+02
      5   0.135469D+02 -0.105462D+02  0.228820D+01  0.917819D+01  0.102231D+02
      6   0.217568D+02 -0.129393D+01  0.181397D+01 -0.413865D+01 -0.139243D+01
               311           312           313           314           315 
      1   0.305553D+02  0.446157D+01 -0.590613D+01  0.241452D+01  0.182130D+01
      2   0.142591D+01 -0.208489D+01  0.895158D+00  0.155322D+01 -0.719308D+00
      3  -0.319812D+02 -0.237669D+01  0.501098D+01 -0.396774D+01 -0.110199D+01
      4  -0.612193D+02 -0.549867D+01  0.118470D+02 -0.122771D+02 -0.338004D+01
      5  -0.128406D+02 -0.795857D+01  0.632138D+01  0.281670D+00 -0.139485D+01
      6   0.245386D+01  0.483808D+01 -0.236797D+01  0.106169D+01  0.218101D+01
               316           317           318           319           320 
      1   0.165571D+03  0.838059D+01  0.312707D+02  0.212472D+02  0.107246D+02
      2  -0.102414D+03 -0.551054D+01 -0.222771D+02 -0.144749D+02 -0.682978D+01
      3  -0.631572D+02 -0.287005D+01 -0.899369D+01 -0.677236D+01 -0.389486D+01
      4   0.732984D+00  0.812747D+01 -0.131658D+01  0.189776D+02  0.554662D+01
      5   0.431775D+02  0.155865D+01  0.212853D+02  0.111327D+02  0.860709D+01
      6  -0.669243D+01  0.100894D+01 -0.242529D+01  0.184236D+01 -0.611886D+00
               321           322           323           324           325 
      1   0.721420D+01  0.451109D+02  0.423382D+01  0.120349D+02  0.180891D+02
      2  -0.582018D+01 -0.303504D+02 -0.168686D+01 -0.912172D+01  0.131137D+02
      3  -0.139401D+01 -0.147605D+02 -0.254696D+01 -0.291320D+01 -0.312028D+02
      4   0.402216D+01  0.383064D+01  0.242030D+01  0.357676D+00 -0.703607D+02
      5   0.493430D+01  0.158921D+02 -0.330788D+01  0.807943D+01 -0.155473D+02
      6   0.126441D+01 -0.116441D+01  0.229170D+01  0.600380D+00  0.113312D+02
               326           327           328           329           330 
      1  -0.516434D+01 -0.282364D+01  0.390719D+01 -0.931209D+01 -0.238621D+01
      2  -0.243201D+02 -0.269267D+01 -0.274784D+02  0.423778D+02  0.765421D+01
      3   0.294844D+02  0.551631D+01  0.235712D+02 -0.330657D+02 -0.526800D+01
      4   0.639819D+02  0.164501D+02  0.526086D+02 -0.676269D+02 -0.170106D+02
      5   0.156860D+02  0.104893D+02  0.147302D+02 -0.134697D+02 -0.881969D+01
      6  -0.129707D+02 -0.914224D+01 -0.149004D+02  0.164852D+02  0.117805D+02
               331           332           333           334           335 
      1   0.422295D+00 -0.796539D+00 -0.846290D-01 -0.746203D+01 -0.173347D+02
      2  -0.970432D+01  0.669015D+01  0.306342D+01  0.111621D+02  0.233273D+02
      3   0.928203D+01 -0.589361D+01 -0.297879D+01 -0.370012D+01 -0.599252D+01
      4   0.164946D+02 -0.170587D+02 -0.682299D+01  0.454801D+01  0.165450D+02
      5   0.503650D+01 -0.691581D+01 -0.437870D+01 -0.132134D+01  0.231084D+01
      6  -0.270319D+01  0.905962D+01  0.427352D+01  0.432248D+01  0.738001D+01
               336           337           338           339           340 
      1  -0.427411D+01 -0.329769D+01 -0.883336D+02 -0.246321D+02 -0.300585D+00
      2   0.503341D+01  0.312710D+01  0.131472D+03  0.312411D+02  0.226495D+01
      3  -0.759301D+00  0.170588D+00 -0.431385D+02 -0.660902D+01 -0.196436D+01
      4   0.322229D+01  0.722921D+01 -0.136655D+02 -0.376314D+01  0.287100D+00
      5   0.255795D+01  0.118884D+01 -0.621052D+01 -0.343285D+01  0.353254D+01
      6   0.379345D+01  0.239157D+01  0.491573D+02  0.234660D+02 -0.272521D+01
               341           342           343           344           345 
      1  -0.304341D+02 -0.100516D+02 -0.297968D+01 -0.643626D+01 -0.123883D+01
      2   0.446861D+02  0.123001D+02  0.117078D+02  0.182971D+02  0.346989D+01
      3  -0.142519D+02 -0.224857D+01 -0.872811D+01 -0.118608D+02 -0.223107D+01
      4  -0.772332D+01 -0.136481D+01  0.146324D+02  0.261002D+02  0.598753D+01
      5  -0.115274D+01 -0.450040D+00  0.195723D+01  0.500340D+01  0.412270D+01
      6   0.175320D+02  0.111612D+02  0.451043D+01  0.391923D+01  0.294356D+01
               346           347           348           349           350 
      1  -0.148618D+02 -0.594706D+02 -0.155323D+02 -0.353092D+01 -0.212900D+02
      2   0.287097D+02  0.101648D+03  0.227926D+02  0.613504D+01  0.325231D+02
      3  -0.138479D+02 -0.421773D+02 -0.726029D+01 -0.260413D+01 -0.112331D+02
      4   0.236082D+02  0.537352D+02  0.144130D+02  0.747619D+01  0.164045D+02
      5   0.636538D+01  0.137869D+02  0.649858D+01  0.202402D+01  0.506271D+01
      6   0.978250D+01  0.290775D+02  0.172946D+02  0.443522D+01  0.150645D+02
               351           352           353           354           355 
      1  -0.875954D+01  0.520960D+02  0.201425D+02 -0.111126D+01  0.107112D+02
      2   0.111831D+02 -0.141037D+02  0.819923D+00  0.811001D+00  0.474485D+01
      3  -0.242354D+01 -0.379923D+02 -0.209624D+02  0.300258D+00 -0.154561D+02
      4   0.564109D+01  0.744957D+02  0.435792D+02 -0.208660D+01  0.325867D+02
      5   0.305473D+01 -0.348431D+01 -0.123333D+01  0.799640D+01  0.190262D+01
      6   0.875923D+01 -0.621034D+01 -0.390993D+01  0.551942D+01  0.734923D+00
               356           357           358           359           360 
      1   0.554106D+01  0.415015D+00 -0.328314D+01 -0.879096D+00  0.218580D+01
      2   0.755135D+01 -0.533153D-01  0.430212D+01  0.238462D+01 -0.405335D+00
      3  -0.130924D+02 -0.361700D+00 -0.101899D+01 -0.150552D+01 -0.178047D+01
      4   0.268175D+02  0.168948D+01  0.147857D+01  0.409367D+01  0.343592D+01
      5   0.124404D+01  0.263506D+01  0.279019D+01  0.233882D+01  0.197661D+01
      6  -0.136474D+01  0.227905D+01  0.105332D+01  0.186980D+01  0.101748D+01
               361           362           363           364           365 
      1   0.124112D+03 -0.151457D+02 -0.222548D+02 -0.785596D+01  0.180408D+02
      2  -0.724342D+02  0.755536D+01  0.171620D+02  0.222392D+01 -0.120304D+02
      3  -0.516777D+02  0.759036D+01  0.509289D+01  0.563204D+01 -0.601047D+01
      4  -0.143873D+02  0.311584D+02  0.656808D+01  0.676182D+02 -0.211343D+02
      5  -0.449701D+02  0.807600D+01  0.400082D+02  0.108321D+01 -0.243935D+02
      6   0.197239D+01 -0.916764D+01 -0.101736D+01 -0.242500D+02  0.639460D+01
               366           367           368           369           370 
      1  -0.133292D+01  0.736756D+01  0.936790D+00  0.196876D+01 -0.407421D+01
      2  -0.379719D+01  0.184127D+02 -0.355038D+01 -0.456424D+02  0.266347D+01
      3   0.513011D+01 -0.257803D+02  0.261359D+01  0.436736D+02  0.141074D+01
      4  -0.259311D+02  0.109782D+02 -0.120343D+02 -0.322228D+01 -0.211312D+01
      5  -0.109647D+02  0.615146D+02 -0.116428D+02 -0.542232D+02  0.494660D+01
      6   0.245162D+02 -0.700793D+00  0.165015D+02 -0.424037D+01  0.552794D+00
               371           372           373           374           375 
      1  -0.112528D+01  0.105336D+01 -0.465235D+01 -0.596718D+01 -0.141085D+01
      2  -0.128909D+01 -0.202136D+01  0.320546D+01 -0.180564D+01 -0.440031D+01
      3   0.241437D+01  0.967998D+00  0.144689D+01  0.777282D+01  0.581115D+01
      4  -0.101471D+01  0.832668D+00 -0.743008D+00 -0.316984D+01 -0.100903D+01
      5   0.423762D+01 -0.192334D+01  0.418847D+01  0.440471D+01 -0.337749D+01
      6  -0.783077D+00 -0.511648D+00 -0.171365D+00  0.116898D+01  0.102795D+01
               376           377           378 
      1  -0.574474D+00 -0.802728D+00 -0.399127D+01
      2   0.736901D+00 -0.300955D+01 -0.150495D+01
      3  -0.162428D+00  0.381228D+01  0.549622D+01
      4   0.122076D+01 -0.141652D+01 -0.772471D+00
      5   0.123764D+01  0.594977D-01 -0.355004D+00
      6  -0.775720D+00  0.115376D+01  0.237026D+01
 Leave Link  716 at Mon Jul 19 04:54:18 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.465511D+03 -0.187879D+02  0.482989D+02
      2  -0.187879D+02  0.432123D+03  0.433926D+02
      3   0.482989D+02  0.433926D+02  0.251176D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.212176D+03 -0.480933D+02  0.156837D+03
      2  -0.120712D+03 -0.833333D+02 -0.525051D+02
      3   0.151673D+03  0.725866D+03 -0.259471D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.706702D+03  0.576985D+02 -0.335372D+03
      2   0.239887D+03  0.153137D+02 -0.197428D+02
      3   0.466815D+03 -0.730122D+02  0.355115D+03
      4   0.117316D+03 -0.382763D+03 -0.337894D+03
      5  -0.138487D+03 -0.216361D+03  0.594993D+02
      6  -0.320096D+03  0.112442D+03 -0.186032D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.133058D+01  0.137097D+01 -0.493756D-01  0.726775D+00 -0.854649D+00
      2   0.137097D+01 -0.220172D+01  0.462226D+00 -0.854649D+00  0.198394D+01
      3  -0.493756D-01  0.462226D+00 -0.116912D+01 -0.500698D+00  0.201045D+00
                 6             7             8             9            10 
      1  -0.500698D+00 -0.229224D+00 -0.157015D+00 -0.523275D+00 -0.358829D+01
      2   0.201045D+00 -0.157015D+00 -0.301158D+00  0.784817D+00  0.368457D+00
      3   0.128753D+01 -0.523275D+00  0.784817D+00  0.363581D+00 -0.222988D+01
                11            12            13            14            15 
      1   0.368457D+00 -0.222988D+01 -0.219057D+01  0.711677D-01 -0.145895D+01
      2  -0.570376D+00 -0.146541D+01  0.711677D-01  0.163617D+01 -0.151276D+01
      3  -0.146541D+01 -0.749563D+01 -0.145895D+01 -0.151276D+01 -0.158122D+01
                16            17            18            19            20 
      1  -0.333160D+01  0.213835D+00 -0.504619D+01  0.451461D+01 -0.932021D+00
      2   0.213835D+00 -0.485493D+01  0.114429D+01 -0.932021D+00  0.362211D+01
      3  -0.504619D+01  0.114429D+01 -0.640481D+01  0.238658D+01 -0.375022D-01
                21            22            23            24            25 
      1   0.238658D+01  0.303929D+01  0.142646D+01  0.273240D+01  0.349771D+01
      2  -0.375022D-01  0.142646D+01  0.127955D+00  0.200900D+00 -0.142896D+01
      3  -0.360217D+00  0.273240D+01  0.200900D+00  0.658603D+00  0.373104D+01
                26            27            28            29            30 
      1  -0.142896D+01  0.373104D+01  0.830374D+00  0.271032D+00  0.144615D+01
      2   0.113075D+01 -0.222937D+01  0.271032D+00  0.141123D+00  0.611294D-01
      3  -0.222937D+01  0.109347D+02  0.144615D+01  0.611294D-01  0.183889D+01
                31            32            33            34            35 
      1   0.357136D+00  0.865302D+00  0.121711D+01  0.146521D+01  0.112028D+01
      2   0.865302D+00  0.207675D+01  0.295675D+01  0.112028D+01  0.192181D+01
      3   0.121711D+01  0.295675D+01  0.583563D+01  0.205078D+01  0.308715D+01
                36            37            38            39            40 
      1   0.205078D+01  0.503879D+01  0.736833D+00  0.194917D+01  0.697125D+01
      2   0.308715D+01  0.736833D+00  0.203269D+01  0.121718D+01 -0.162922D+01
      3   0.659847D+01  0.194917D+01  0.121718D+01  0.269292D+01  0.192212D+01
                41            42            43            44            45 
      1  -0.162922D+01  0.192212D+01  0.423971D+01 -0.388561D+01  0.509759D+01
      2   0.264013D+01 -0.303484D+00 -0.388561D+01  0.472256D+01 -0.362205D+01
      3  -0.303484D+00 -0.202785D+01  0.509759D+01 -0.362205D+01  0.985447D+01
                46            47            48            49            50 
      1   0.827300D+01 -0.154225D+01  0.633523D+01 -0.771489D+00  0.895180D+00
      2  -0.154225D+01  0.776166D+00 -0.145930D+01  0.895180D+00 -0.288904D+00
      3   0.633523D+01 -0.145930D+01  0.601285D+01  0.124536D+00  0.672297D+00
                51            52            53            54            55 
      1   0.124536D+00  0.571109D+01 -0.422316D+00  0.496733D+01 -0.337703D+00
      2   0.672297D+00 -0.422316D+00  0.390765D+00 -0.444207D+00  0.137820D+01
      3   0.985123D+00  0.496733D+01 -0.444207D+00  0.511727D+01 -0.287801D+01
                56            57            58            59            60 
      1   0.137820D+01 -0.287801D+01 -0.471047D+01  0.120106D+01 -0.556162D+01
      2  -0.247572D+01  0.185447D+01  0.120106D+01 -0.401073D+01  0.360807D+01
      3   0.185447D+01 -0.171908D+01 -0.556162D+01  0.360807D+01 -0.615723D+01
                61            62            63            64            65 
      1  -0.958887D+01  0.170864D+01 -0.514461D+01  0.537200D+01 -0.450421D+01
      2   0.170864D+01 -0.461817D+00  0.502816D+00 -0.450421D+01  0.455783D+01
      3  -0.514461D+01  0.502816D+00 -0.554173D+01  0.113675D+01 -0.118271D+01
                66            67            68            69            70 
      1   0.113675D+01 -0.486507D+01  0.477742D+01 -0.514798D+00  0.384092D+00
      2  -0.118271D+01  0.477742D+01 -0.581315D+01  0.796825D+00  0.963544D-01
      3   0.824124D+00 -0.514798D+00  0.796825D+00 -0.555815D+00  0.508511D+00
                71            72            73            74            75 
      1   0.963544D-01  0.508511D+00  0.122830D+02 -0.370531D+01  0.109798D+02
      2  -0.693159D+00 -0.614389D+00 -0.370531D+01  0.336715D+01 -0.195823D+01
      3  -0.614389D+00  0.901871D-01  0.109798D+02 -0.195823D+01  0.109179D+02
                76            77            78            79            80 
      1  -0.164725D+02  0.480079D+01 -0.184717D+02 -0.236606D+01  0.385979D+00
      2   0.480079D+01 -0.671877D+01  0.122060D+01  0.385979D+00  0.231320D+00
      3  -0.184717D+02  0.122060D+01 -0.210853D+02 -0.229532D+01 -0.160954D+01
                81            82            83            84            85 
      1  -0.229532D+01  0.167699D+02 -0.108477D+02  0.947882D+01  0.739110D+01
      2  -0.160954D+01 -0.108477D+02  0.190991D+02 -0.186496D+01 -0.262718D+01
      3  -0.509469D+01  0.947882D+01 -0.186496D+01  0.119840D+02  0.579817D+01
                86            87            88            89            90 
      1  -0.262718D+01  0.579817D+01  0.104303D+02 -0.668884D+01  0.126973D+02
      2  -0.129521D+01  0.127443D+01 -0.668884D+01  0.167641D+02 -0.559836D+01
      3   0.127443D+01  0.667095D+01  0.126973D+02 -0.559836D+01  0.135938D+02
                91            92            93            94            95 
      1  -0.220286D+02  0.547145D+01 -0.186508D+02  0.956135D+01 -0.988624D+00
      2   0.547145D+01 -0.666482D+01  0.233041D+01 -0.988624D+00  0.415534D+01
      3  -0.186508D+02  0.233041D+01 -0.186560D+02  0.124892D+02  0.292619D+00
                96            97            98            99           100 
      1   0.124892D+02 -0.367365D+01  0.240777D+01 -0.336501D+01  0.105254D+02
      2   0.292619D+00  0.240777D+01 -0.375347D+00  0.246079D+01  0.142004D+01
      3   0.146314D+02 -0.336501D+01  0.246079D+01 -0.299106D+01  0.949418D+01
               101           102           103           104           105 
      1   0.142004D+01  0.949418D+01  0.259994D+02 -0.226692D+02  0.156622D+02
      2  -0.476498D+01 -0.578649D+00 -0.226692D+02  0.424505D+02 -0.102812D+02
      3  -0.578649D+00  0.873709D+01  0.156622D+02 -0.102812D+02  0.103420D+02
               106           107           108           109           110 
      1   0.185519D+02 -0.103465D+02  0.135163D+02 -0.660480D+01 -0.396101D+01
      2  -0.103465D+02  0.187002D+02 -0.468951D+01 -0.396101D+01  0.747360D+01
      3   0.135163D+02 -0.468951D+01  0.117081D+02 -0.738155D+01  0.922741D+00
               111           112           113           114           115 
      1  -0.738155D+01 -0.287397D+02  0.262621D+02 -0.184910D+02 -0.147909D+02
      2   0.922741D+00  0.262621D+02 -0.496819D+02  0.133778D+02  0.971676D+01
      3  -0.533818D+01 -0.184910D+02  0.133778D+02 -0.121072D+02 -0.115880D+02
               116           117           118           119           120 
      1   0.971676D+01 -0.115880D+02 -0.210464D+02  0.188715D+02 -0.119349D+02
      2  -0.153901D+02  0.380335D+01  0.188715D+02 -0.347338D+02  0.934393D+01
      3   0.380335D+01 -0.102879D+02 -0.119349D+02  0.934393D+01 -0.908991D+01
               121           122           123           124           125 
      1   0.633981D+01 -0.118760D+02  0.427886D+01 -0.924718D+01  0.945716D+01
      2  -0.118760D+02  0.156613D+02 -0.479131D+01  0.945716D+01 -0.128085D+02
      3   0.427886D+01 -0.479131D+01  0.336965D+01 -0.640942D+01  0.217060D+01
               126           127           128           129           130 
      1  -0.640942D+01  0.204554D+02 -0.100731D+02  0.695937D+01  0.148068D+01
      2   0.217060D+01 -0.100731D+02  0.707310D+02 -0.672586D+01  0.143612D+02
      3  -0.113138D+02  0.695937D+01 -0.672586D+01  0.261479D+01 -0.748166D+00
               131           132           133           134           135 
      1   0.143612D+02 -0.748166D+00  0.644963D+01  0.194745D+01  0.127175D+01
      2   0.184261D+02  0.380671D+01  0.194745D+01  0.259565D+02 -0.599542D+00
      3   0.380671D+01  0.483597D-01  0.127175D+01 -0.599542D+00  0.367104D+00
               136           137           138           139           140 
      1  -0.205428D+02  0.704627D+01 -0.631907D+01 -0.190747D+01 -0.817287D+01
      2   0.704627D+01 -0.707615D+02  0.778684D+01 -0.817287D+01 -0.147784D+02
      3  -0.631907D+01  0.778684D+01 -0.185357D+01 -0.237635D+00 -0.122400D+01
               141           142           143           144           145 
      1  -0.237635D+00 -0.515148D+01  0.126693D+01 -0.431657D+01 -0.108362D+02
      2  -0.122400D+01  0.126693D+01 -0.244948D+02  0.197801D+01 -0.195146D+00
      3  -0.172360D+00 -0.431657D+01  0.197801D+01 -0.209925D+01 -0.486023D+01
               146           147           148           149           150 
      1  -0.195146D+00 -0.486023D+01  0.116563D+02  0.100176D+01  0.898900D+01
      2  -0.131519D+02  0.188878D-01  0.100176D+01  0.373608D+02 -0.273873D+01
      3   0.188878D-01 -0.500912D+01  0.898900D+01 -0.273873D+01  0.734419D+01
               151           152           153           154           155 
      1   0.293470D+01  0.229465D+01 -0.326154D+01  0.159881D+02 -0.391448D+01
      2   0.229465D+01  0.519056D+01 -0.264771D+00 -0.391448D+01  0.157756D+02
      3  -0.326154D+01 -0.264771D+00 -0.471500D+01  0.124525D+02 -0.264141D+01
               156           157           158           159           160 
      1   0.124525D+02 -0.137828D+02 -0.188940D+01 -0.605081D+01  0.382652D+01
      2  -0.264141D+01 -0.188940D+01 -0.223144D+02  0.299689D+01 -0.274671D+00
      3   0.103658D+02 -0.605081D+01  0.299689D+01 -0.457106D+01  0.257210D+01
               161           162           163           164           165 
      1  -0.274671D+00  0.257210D+01  0.348355D+02  0.197707D+02 -0.200464D+01
      2   0.293448D+01 -0.527200D+01  0.197707D+02  0.333123D+02 -0.100038D+01
      3  -0.527200D+01 -0.597252D+00 -0.200464D+01 -0.100038D+01  0.683081D+00
               166           167           168           169           170 
      1  -0.177325D+02 -0.164188D+02 -0.146087D+00 -0.433632D+01 -0.440753D+01
      2  -0.164188D+02 -0.511976D+02 -0.146456D+01 -0.440753D+01 -0.157270D+02
      3  -0.146087D+00 -0.146456D+01 -0.342123D+00  0.429088D+00 -0.804417D+00
               171           172           173           174           175 
      1   0.429088D+00 -0.305523D+02 -0.182281D+02  0.230194D+01  0.234607D+02
      2  -0.804417D+00 -0.182281D+02 -0.310708D+02  0.158520D+01  0.223424D+02
      3  -0.287063D+00  0.230194D+01  0.158520D+01  0.516530D+00 -0.509817D+00
               176           177           178           179           180 
      1   0.223424D+02 -0.509817D+00  0.464202D+01  0.476478D+01 -0.185043D+01
      2   0.623336D+02 -0.144564D+00  0.476478D+01  0.140267D+02  0.174322D+01
      3  -0.144564D+00  0.101208D+00 -0.185043D+01  0.174322D+01  0.850356D+00
               181           182           183           184           185 
      1   0.135413D+02  0.854384D+01 -0.638255D+00  0.231990D+02  0.249310D+01
      2   0.854384D+01  0.121890D+02 -0.183149D+01  0.249310D+01  0.283265D+02
      3  -0.638255D+00 -0.183149D+01 -0.852342D+00  0.312999D+01 -0.455834D+01
               186           187           188           189           190 
      1   0.312999D+01  0.970134D+01  0.123354D+01 -0.324981D+01 -0.490245D+01
      2  -0.455834D+01  0.123354D+01  0.656180D+01  0.290216D+01 -0.373312D+01
      3   0.232585D+01 -0.324981D+01  0.290216D+01  0.537263D+00  0.211430D+01
               191           192           193           194           195 
      1  -0.373312D+01  0.211430D+01 -0.236253D+02  0.320283D+01 -0.274562D+00
      2   0.349511D+01 -0.154629D+01  0.320283D+01 -0.403997D+02  0.542048D+01
      3  -0.154629D+01 -0.874086D+00 -0.274562D+00  0.542048D+01 -0.136665D+01
               196           197           198           199           200 
      1  -0.441186D+01  0.176304D+01 -0.482810D+01 -0.162424D+02 -0.122433D+02
      2   0.176304D+01 -0.737220D+01 -0.325700D+00 -0.122433D+02 -0.100038D+02
      3  -0.482810D+01 -0.325700D+00 -0.228190D+01  0.556432D-02  0.127000D+01
               201           202           203           204           205 
      1   0.556432D-02 -0.411784D+02 -0.919217D+01  0.990216D+01 -0.183733D+02
      2   0.127000D+01 -0.919217D+01 -0.116179D+02  0.229967D+00 -0.323153D+01
      3  -0.889234D-01  0.990216D+01  0.229967D+00 -0.215762D+01  0.318554D+01
               206           207           208           209           210 
      1  -0.323153D+01  0.318554D+01 -0.283652D+02 -0.153104D+02  0.467498D+01
      2  -0.547104D+01 -0.631154D+00 -0.153104D+02 -0.382416D+02 -0.102255D+01
      3  -0.631154D+00 -0.168417D+01  0.467498D+01 -0.102255D+01 -0.415968D+01
               211           212           213           214           215 
      1  -0.146074D+02 -0.168444D+02  0.251311D+01 -0.217615D+01 -0.270658D+01
      2  -0.168444D+02 -0.379549D+02 -0.621176D+00 -0.270658D+01 -0.970821D+01
      3   0.251311D+01 -0.621176D+00 -0.795231D+00 -0.444589D+01  0.172842D+01
               216           217           218           219           220 
      1  -0.444589D+01  0.429152D+02  0.149122D+02 -0.912731D+01 -0.609442D+01
      2   0.172842D+01  0.149122D+02  0.321249D+02  0.309638D+00 -0.627075D+00
      3   0.254611D+01 -0.912731D+01  0.309638D+00  0.440302D+01  0.204992D+01
               221           222           223           224           225 
      1  -0.627075D+00  0.204992D+01 -0.447111D+01 -0.530081D+00  0.302136D+01
      2   0.100719D+02 -0.141822D+01 -0.530081D+00 -0.816601D+00  0.547872D+01
      3  -0.141822D+01  0.204839D+00  0.302136D+01  0.547872D+01  0.186122D+01
               226           227           228           229           230 
      1  -0.101697D+02  0.198558D+01  0.469544D+01  0.461866D+02  0.126033D+02
      2   0.198558D+01  0.283263D+01  0.571489D-02  0.126033D+02  0.145745D+02
      3   0.469544D+01  0.571489D-02 -0.161449D+01 -0.111112D+02 -0.734994D+00
               231           232           233           234           235 
      1  -0.111112D+02  0.167219D+02  0.401128D+01 -0.450349D+01 -0.318318D+01
      2  -0.734994D+00  0.401128D+01  0.337489D+01  0.131609D+01 -0.544056D+01
      3   0.230980D+01 -0.450349D+01  0.131609D+01  0.240929D+01 -0.100744D+01
               236           237           238           239           240 
      1  -0.544056D+01 -0.100744D+01  0.399287D+01  0.319068D+01 -0.314456D+00
      2  -0.737054D+01  0.631639D+00  0.319068D+01  0.353713D+01 -0.242164D+01
      3   0.631639D+00  0.244445D+00 -0.314456D+00 -0.242164D+01  0.547366D+00
               241           242           243           244           245 
      1   0.417238D+01  0.267375D+01  0.166058D+01  0.128929D+02  0.395649D+01
      2   0.267375D+01 -0.164487D+00  0.249992D+01  0.395649D+01  0.898348D+01
      3   0.166058D+01  0.249992D+01  0.216392D+01 -0.184224D+01  0.621755D+00
               246           247           248           249           250 
      1  -0.184224D+01  0.709410D+01 -0.364987D+01 -0.597443D+01  0.144531D+01
      2   0.621755D+00 -0.364987D+01 -0.273575D+01 -0.432049D+00 -0.413016D+01
      3   0.303230D+01 -0.597443D+01 -0.432049D+00  0.152811D+01  0.242725D+01
               251           252           253           254           255 
      1  -0.413016D+01  0.242725D+01  0.217354D+02  0.362867D+01 -0.597201D+01
      2  -0.486892D+01  0.211186D+01  0.362867D+01  0.482828D+01  0.271477D+00
      3   0.211186D+01 -0.118507D+01 -0.597201D+01  0.271477D+00  0.171856D+01
               256           257           258           259           260 
      1  -0.708124D+01  0.168433D+01  0.205546D+01 -0.702223D+01 -0.119314D+01
      2   0.168433D+01  0.243541D+01 -0.367616D+00 -0.119314D+01  0.376992D+00
      3   0.205546D+01 -0.367616D+00  0.715898D+00  0.441367D+01  0.790991D+00
               261           262           263           264           265 
      1   0.441367D+01 -0.245505D+02 -0.127447D+00  0.844395D+01 -0.179330D+01
      2   0.790991D+00 -0.127447D+00 -0.377991D+01 -0.149881D+01 -0.474461D+00
      3  -0.225572D+01  0.844395D+01 -0.149881D+01 -0.359987D+01  0.175786D+01
               266           267           268           269           270 
      1  -0.474461D+00  0.175786D+01  0.272753D+01  0.118094D+01 -0.121783D+01
      2  -0.269387D+01  0.104251D+01  0.118094D+01  0.403744D+01 -0.230151D+01
      3   0.104251D+01 -0.127079D+01 -0.121783D+01 -0.230151D+01 -0.763219D+00
               271           272           273           274           275 
      1   0.344603D+01 -0.447556D+01  0.380204D-01 -0.305329D+01  0.468417D+01
      2  -0.447556D+01  0.679068D+01 -0.111340D+00  0.468417D+01 -0.934742D+01
      3   0.380204D-01 -0.111340D+00  0.848922D+00  0.816231D+00 -0.104556D+01
               276           277           278           279           280 
      1   0.816231D+00  0.869077D+00  0.444802D-01  0.820813D+00 -0.853162D+00
      2  -0.104556D+01  0.444802D-01 -0.141280D+01 -0.662514D+00 -0.615713D+00
      3  -0.374232D+00  0.820813D+00 -0.662514D+00 -0.440100D-01 -0.108129D+01
               281           282           283           284           285 
      1  -0.615713D+00 -0.108129D+01 -0.230958D+00 -0.124826D+01 -0.296855D+00
      2  -0.207001D+01 -0.707472D+00 -0.124826D+01 -0.104739D+02 -0.485098D+01
      3  -0.707472D+00 -0.136791D+01 -0.296855D+00 -0.485098D+01 -0.319429D+01
               286           287           288           289           290 
      1  -0.104296D+01 -0.122354D+01 -0.709273D+00 -0.126047D+02 -0.343466D+01
      2  -0.122354D+01 -0.554622D+01 -0.359632D+01 -0.343466D+01 -0.125370D+01
      3  -0.709273D+00 -0.359632D+01 -0.218782D+01 -0.510528D+01 -0.122318D+01
               291           292           293           294           295 
      1  -0.510528D+01 -0.158602D+01 -0.212170D+01 -0.105499D+01 -0.494408D+01
      2  -0.122318D+01 -0.212170D+01  0.124715D+00 -0.876688D+00 -0.135287D+01
      3  -0.302881D+01 -0.105499D+01 -0.876688D+00 -0.941655D+00 -0.218097D+01
               296           297           298           299           300 
      1  -0.135287D+01 -0.218097D+01 -0.148371D+01 -0.235714D+01 -0.105553D+01
      2  -0.115325D+01 -0.105401D+01 -0.235714D+01 -0.153647D+01 -0.169664D+01
      3  -0.105401D+01 -0.122781D+01 -0.105553D+01 -0.169664D+01 -0.101623D+01
               301           302           303           304           305 
      1  -0.241377D+01 -0.376541D+01 -0.207931D+01 -0.118291D+01 -0.282135D+01
      2  -0.376541D+01 -0.102151D+02 -0.488596D+01 -0.282135D+01 -0.475087D+01
      3  -0.207931D+01 -0.488596D+01 -0.319502D+01 -0.134898D+01 -0.266009D+01
               306           307           308           309           310 
      1  -0.134898D+01 -0.926398D+01  0.598005D+01  0.353003D+00  0.677291D+01
      2  -0.266009D+01  0.598005D+01 -0.335187D+01 -0.586379D-01 -0.522259D+01
      3  -0.227984D+01  0.353003D+00 -0.586379D-01 -0.706032D+00 -0.633480D+00
               311           312           313           314           315 
      1  -0.522259D+01 -0.633480D+00  0.805224D+00 -0.884577D+00 -0.507535D+00
      2   0.589482D+01  0.643578D+00 -0.884577D+00  0.117745D+01 -0.111783D+00
      3   0.643578D+00  0.550754D+00 -0.507535D+00 -0.111783D+00  0.243751D+00
               316           317           318           319           320 
      1  -0.159297D+02 -0.775207D+00 -0.333495D+01 -0.220831D+01 -0.145979D+01
      2  -0.775207D+00 -0.240176D+00 -0.173539D+00 -0.145979D+01 -0.151410D+01
      3  -0.333495D+01 -0.173539D+00 -0.155932D+01 -0.891876D+00 -0.464410D+00
               321           322           323           324           325 
      1  -0.891876D+00 -0.437892D+01 -0.509054D+00 -0.114580D+01 -0.682710D+01
      2  -0.464410D+00 -0.509054D+00  0.327617D+00  0.311508D+00  0.492874D+01
      3  -0.333714D+00 -0.114580D+01  0.311508D+00 -0.690386D+00  0.154401D+01
               326           327           328           329           330 
      1   0.492874D+01  0.154401D+01  0.354688D+01 -0.547028D+01 -0.148953D+01
      2  -0.598762D+01 -0.135198D+01 -0.547028D+01  0.662655D+01  0.164995D+01
      3  -0.135198D+01 -0.962765D+00 -0.148953D+01  0.164995D+01  0.116079D+01
               331           332           333           334           335 
      1   0.116583D+01 -0.191457D+01 -0.166811D+00  0.121208D+01  0.190207D+01
      2  -0.191457D+01  0.110149D+01  0.106916D+01  0.190207D+01  0.262224D+01
      3  -0.166811D+00  0.106916D+01  0.282311D+00  0.196814D+00  0.475390D+00
               336           337           338           339           340 
      1   0.196814D+00  0.520647D+00  0.313511D+00  0.199678D+00 -0.396761D+00
      2   0.475390D+00  0.313511D+00  0.142086D+02  0.389039D+01 -0.117354D+00
      3   0.284871D+00  0.199678D+00  0.389039D+01  0.186172D+01 -0.196121D+00
               341           342           343           344           345 
      1  -0.117354D+00 -0.196121D+00  0.146290D+01  0.192719D+01  0.386946D+00
      2   0.486724D+01  0.131621D+01  0.192719D+01  0.273815D+01  0.554755D+00
      3   0.131621D+01  0.964550D+00  0.386946D+00  0.554755D+00  0.433721D+00
               346           347           348           349           350 
      1   0.154827D+01  0.360074D+01  0.110969D+01  0.791374D+00  0.998811D+00
      2   0.360074D+01  0.117232D+02  0.302392D+01  0.998811D+00  0.391193D+01
      3   0.110969D+01  0.302392D+01  0.161453D+01  0.267359D+00  0.142424D+01
               351           352           353           354           355 
      1   0.267359D+00  0.105135D+02  0.504306D+01 -0.457475D+00  0.348258D+01
      2   0.142424D+01  0.504306D+01  0.323634D+01 -0.183027D+00  0.260103D+01
      3   0.808333D+00 -0.457475D+00 -0.183027D+00  0.840968D+00  0.287631D+00
               356           357           358           359           360 
      1   0.260103D+01  0.287631D+00  0.922931D-01  0.424735D+00  0.159360D+00
      2   0.239825D+01  0.147945D+00  0.424735D+00  0.595725D+00  0.228316D+00
      3   0.147945D+00  0.328690D+00  0.159360D+00  0.228316D+00  0.330509D+00
               361           362           363           364           365 
      1   0.102439D+02 -0.219548D+01 -0.174808D+01  0.273009D+01  0.559380D+01
      2  -0.219548D+01  0.131825D+01  0.170458D+00  0.559380D+01 -0.284655D+01
      3  -0.174808D+01  0.170458D+00  0.187045D+01 -0.766013D+00 -0.231440D+01
               366           367           368           369           370 
      1  -0.766013D+00  0.637026D+00  0.856822D+00  0.543619D+01 -0.160595D+01
      2  -0.231440D+01  0.856822D+00 -0.777084D+00 -0.132552D+01 -0.901505D+00
      3  -0.981800D+00  0.543619D+01 -0.132552D+01 -0.690639D+01  0.304746D+00
               371           372           373           374           375 
      1  -0.901505D+00  0.304746D+00 -0.101266D+01 -0.770522D+00  0.542547D+00
      2  -0.181631D+01  0.425532D+00 -0.770522D+00 -0.287614D+01 -0.102270D-02
      3   0.425532D+00 -0.343972D+00  0.542547D+00 -0.102270D-02 -0.121179D+01
               376           377           378 
      1  -0.146602D+00 -0.341734D+00  0.670018D-01
      2  -0.341734D+00 -0.115393D+01 -0.435891D+00
      3   0.670018D-01 -0.435891D+00 -0.786288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690655D+01 -0.120507D+02  0.232091D+01 -0.641679D+01  0.136008D+02
      2   0.662397D+01 -0.828825D+01  0.327100D+01 -0.455426D+01  0.774868D+01
      3  -0.450060D+01 -0.315164D+00  0.103850D+01  0.743623D+01 -0.601211D+01
                 6             7             8             9            10 
      1  -0.245529D+01  0.184397D+00  0.260721D+01  0.397331D+01 -0.161610D+02
      2  -0.834317D+00  0.594031D+00  0.240983D+00  0.268694D+01  0.777358D+01
      3   0.223219D+01 -0.276594D+01 -0.356364D+01 -0.341586D+01  0.279400D+02
                11            12            13            14            15 
      1   0.936198D+01 -0.350493D+02 -0.103964D+02  0.171796D+02 -0.142159D+02
      2   0.757329D+01 -0.549926D+01  0.425725D+01  0.702722D+01  0.395064D+01
      3  -0.188845D+02  0.411217D+02  0.228043D+02 -0.272599D+02  0.148024D+02
                16            17            18            19            20 
      1  -0.161125D+02 -0.584069D+01 -0.326226D+01  0.143721D+02  0.184762D+01
      2  -0.104638D+02  0.898533D+01  0.206675D+01  0.100982D+01 -0.475009D+01
      3   0.246377D+02 -0.120000D+02  0.233303D+02 -0.248131D+02  0.974757D+01
                21            22            23            24            25 
      1   0.172835D+02  0.145512D+02  0.102358D+02  0.475596D+00  0.858669D+01
      2   0.494477D+01 -0.224375D+01 -0.531900D+01 -0.526594D+01 -0.622275D+01
      3  -0.299236D+02 -0.147265D+02 -0.276379D+02 -0.576176D+01 -0.248548D+02
                26            27            28            29            30 
      1  -0.317054D+01  0.246346D+02  0.286989D+01 -0.175662D+01  0.244495D+01
      2   0.507780D+01  0.780903D+01  0.256133D+00 -0.156492D+01 -0.258631D-01
      3   0.189101D+02 -0.379411D+02 -0.389127D+01  0.221544D+01 -0.506874D+01
                31            32            33            34            35 
      1   0.418184D+01  0.135624D+02  0.166185D+02  0.757466D+01  0.159219D+02
      2  -0.438816D+00  0.187888D+01  0.732793D+01 -0.371415D+01  0.171232D+01
      3  -0.203987D+01 -0.827431D+01 -0.145545D+02 -0.339060D+01 -0.106031D+02
                36            37            38            39            40 
      1   0.186896D+02  0.167884D+02  0.679751D+01  0.672912D+01  0.935825D+01
      2   0.262381D+01 -0.713056D+01 -0.129404D+00 -0.123896D+00 -0.123932D+02
      3  -0.119579D+02 -0.297818D+02 -0.139519D+02 -0.145707D+02 -0.300802D+02
                41            42            43            44            45 
      1  -0.115482D+02  0.510345D+01  0.940343D+01 -0.332622D+01  0.299838D+02
      2  -0.138797D+01 -0.256354D+01  0.174364D+01 -0.429153D+01  0.125194D+02
      3   0.202294D+02 -0.146655D+02 -0.246753D+02  0.361739D+02 -0.274194D+02
                46            47            48            49            50 
      1   0.952075D+01  0.817032D+00  0.877737D+01  0.224547D+01  0.710023D+00
      2  -0.999599D+01  0.309561D+00 -0.993640D+00  0.396669D+01 -0.162489D+01
      3  -0.181390D+02 -0.681607D-01 -0.132595D+02  0.725037D+00 -0.104504D+01
                51            52            53            54            55 
      1   0.411152D+01  0.111911D+02  0.220452D+01  0.104613D+02 -0.213814D+02
      2   0.321884D+01 -0.826150D+01  0.691741D+00 -0.250391D+01 -0.118965D+02
      3  -0.248690D+01 -0.172636D+02 -0.260403D+01 -0.148686D+02  0.118648D+02
                56            57            58            59            60 
      1   0.185555D+02 -0.167974D+02 -0.222561D+02  0.565380D+01 -0.224619D+02
      2   0.165228D+02  0.225671D+01  0.821155D+00  0.106562D+02 -0.492370D+00
      3  -0.306118D+02  0.162048D+02  0.276127D+02 -0.144068D+02  0.256160D+02
                61            62            63            64            65 
      1  -0.272022D+02  0.290836D+02 -0.283317D+02 -0.555761D+01  0.515176D+01
      2  -0.391557D+01  0.884887D+01 -0.186050D+02 -0.821784D+01  0.591210D+01
      3   0.605724D+02 -0.521495D+02  0.410657D+02 -0.976873D+01  0.259657D+01
                66            67            68            69            70 
      1   0.626655D+00  0.705462D+01 -0.874711D+01 -0.331761D+01  0.605116D+00
      2   0.626360D+00  0.927905D+01 -0.901394D+01 -0.220775D+01 -0.143809D+01
      3  -0.754344D-01  0.945687D+01 -0.398106D+01  0.101854D+01 -0.140109D+00
                71            72            73            74            75 
      1  -0.239515D+01 -0.173428D+01  0.508313D+02 -0.283055D+02  0.532560D+02
      2  -0.557620D+00 -0.162915D+01  0.197384D+02 -0.899155D+01  0.193446D+02
      3   0.292119D+01  0.641598D+00 -0.942125D+02  0.621804D+02 -0.855708D+02
                76            77            78            79            80 
      1  -0.836281D+02 -0.279046D+02 -0.101950D+03 -0.295868D+01 -0.223113D+02
      2  -0.423582D+01 -0.258769D+02 -0.113078D+02 -0.534322D+01 -0.149150D+02
      3   0.144123D+03 -0.117281D+02  0.175555D+03  0.257877D+02  0.350731D+02
                81            82            83            84            85 
      1  -0.156721D+02  0.473683D+02 -0.951289D+01  0.524044D+02  0.194020D+02
      2  -0.125444D+02  0.220613D+02 -0.187559D+01  0.163219D+02  0.789423D+01
      3   0.374641D+02 -0.155326D+03  0.118156D+03 -0.943500D+02 -0.625080D+02
                86            87            88            89            90 
      1   0.234717D+02  0.263741D+02  0.650039D+02 -0.994619D+01  0.746450D+02
      2   0.172621D+02  0.970820D+01 -0.816367D+00  0.787220D+01  0.622131D+01
      3  -0.309880D+01 -0.647613D+02 -0.102644D+03  0.700965D+02 -0.130173D+03
                91            92            93            94            95 
      1  -0.506520D+02 -0.120722D+02 -0.579762D+02  0.361718D+02  0.315353D+01
      2   0.242051D+02 -0.204742D+02  0.160537D+02  0.427594D-01  0.397023D+01
      3   0.101079D+03 -0.398414D+02  0.966893D+02 -0.683677D+02  0.102761D+02
                96            97            98            99           100 
      1   0.428596D+02  0.172383D+01 -0.124433D+02 -0.928806D+00  0.155051D+02
      2  -0.441766D+01  0.393632D+01 -0.108335D+02 -0.451951D+01 -0.511620D+01
      3  -0.807318D+02 -0.127069D+01  0.308020D+02  0.467992D+01 -0.391033D+02
               101           102           103           104           105 
      1   0.718158D+01  0.197556D+02  0.674471D+02 -0.419190D+02  0.364205D+02
      2   0.135140D+02  0.398366D+00  0.124418D+02 -0.947495D+00  0.402872D+01
      3  -0.443837D+02 -0.430112D+02 -0.180337D+03  0.230784D+03 -0.897217D+02
               106           107           108           109           110 
      1   0.375715D+02 -0.454533D+01  0.286596D+02 -0.244537D+02 -0.217330D+02
      2  -0.159311D+02 -0.185109D+00 -0.165193D+02  0.187085D+01 -0.219366D+02
      3  -0.868991D+02  0.142525D+03 -0.626312D+02  0.658828D+02  0.522223D+02
               111           112           113           114           115 
      1  -0.245638D+02 -0.102492D+03  0.787151D+02 -0.607616D+02 -0.518198D+02
      2  -0.704599D+01 -0.223811D+02  0.282506D+02 -0.976387D+01 -0.291741D+02
      3   0.599075D+02  0.255780D+03 -0.370086D+03  0.152308D+03  0.123628D+03
               116           117           118           119           120 
      1   0.358632D+02 -0.391150D+02 -0.665093D+02  0.540589D+02 -0.468428D+02
      2   0.155906D+02 -0.115702D+02 -0.148641D+02  0.151484D+02 -0.700664D+01
      3  -0.125998D+03  0.803114D+02  0.197872D+03 -0.244766D+03  0.120408D+03
               121           122           123           124           125 
      1   0.302450D+02 -0.374976D+02  0.172454D+02 -0.370551D+02  0.203138D+02
      2   0.138942D+02 -0.203606D+02  0.626080D+01 -0.197634D+02  0.148030D+02
      3  -0.626509D+02  0.146358D+03 -0.385126D+02  0.756949D+02 -0.101762D+03
               126           127           128           129           130 
      1  -0.520672D+02  0.485137D+02 -0.801582D+02  0.187509D+02 -0.300914D+01
      2  -0.122221D+02  0.108609D+02 -0.396717D+02  0.584623D+01 -0.110589D+02
      3   0.587823D+02 -0.629671D+02  0.395205D+03 -0.355499D+02  0.811877D+02
               131           132           133           134           135 
      1  -0.201232D+02  0.122940D+01  0.603521D+01 -0.820116D+01 -0.593511D+01
      2  -0.183369D+02 -0.144411D+01 -0.201433D+02 -0.166824D+02 -0.682314D+01
      3   0.819524D+02  0.174041D+02  0.348295D+02  0.150700D+03  0.221260D+01
               136           137           138           139           140 
      1  -0.517593D+02  0.104331D+03 -0.227211D+02  0.740868D+01  0.195507D+02
      2  -0.115275D+02  0.765114D+02 -0.890481D+01  0.229681D+02  0.218608D+02
      3   0.692127D+02 -0.527313D+03  0.560222D+02 -0.722535D+02 -0.104493D+03
               141           142           143           144           145 
      1   0.334556D+00 -0.123926D+02  0.651514D+02 -0.321203D+01 -0.178844D+02
      2   0.558496D+01  0.631727D+00  0.330932D+02  0.157903D+00 -0.108142D+02
      3  -0.146057D+02 -0.125412D+02 -0.177839D+03  0.818751D+01  0.502446D+02
               146           147           148           149           150 
      1   0.500171D+01 -0.172765D+02  0.345118D+02 -0.723408D+02  0.290653D+02
      2   0.114869D+02  0.449249D+01 -0.854640D+01 -0.522216D+02 -0.398883D+01
      3  -0.843564D+02  0.231363D+02 -0.139066D+02  0.278536D+03 -0.394530D+02
               151           152           153           154           155 
      1  -0.133244D+02  0.107950D+02 -0.105617D+02  0.555720D+02 -0.219069D+02
      2   0.112350D+02 -0.672674D+01  0.975400D+01  0.213355D+02 -0.225036D+02
      3   0.323762D+01  0.468676D+02  0.114448D+02 -0.120543D+03  0.129712D+03
               156           157           158           159           160 
      1   0.430994D+02 -0.223455D+02  0.337022D+02 -0.221837D+02  0.822346D+01
      2   0.742296D+01 -0.178552D+01  0.115161D+02  0.139746D+01 -0.665807D+01
      3  -0.824521D+02  0.382130D+02 -0.145004D+03  0.377557D+02 -0.483950D+02
               161           162           163           164           165 
      1  -0.884798D+01  0.911022D+01 -0.121733D+02 -0.471276D+02  0.272418D+01
      2   0.291402D+02  0.100010D+02 -0.127896D+02 -0.164842D+02 -0.819508D+00
      3   0.202175D+02 -0.569184D+02  0.151238D+03  0.190067D+03 -0.356514D+01
               166           167           168           169           170 
      1  -0.345791D+01  0.415367D+02 -0.189069D-01 -0.938058D+01  0.416775D+02
      2   0.208990D+02  0.271173D+02  0.201905D+01 -0.198443D+02  0.148789D+02
      3  -0.132101D+03 -0.251138D+03 -0.129548D+02 -0.378615D+01 -0.969897D+02
               171           172           173           174           175 
      1  -0.714227D+01  0.256538D+02  0.504118D+02  0.103606D+01  0.280463D+00
      2   0.210978D+01  0.453236D+02  0.314715D+02 -0.485277D+00 -0.153304D+02
      3   0.117063D+01 -0.242299D+03 -0.243403D+03  0.795671D+01  0.179972D+03
               176           177           178           179           180 
      1  -0.752755D+02  0.756746D+01  0.134563D+02  0.527363D-01  0.255959D+01
      2  -0.594643D+02 -0.383607D+00 -0.121552D+02 -0.282417D+02 -0.603929D+01
      3   0.426179D+03 -0.208684D+01  0.138264D+02  0.106513D+03  0.407868D+00
               181           182           183           184           185 
      1  -0.205996D+02 -0.288557D+02  0.954775D+00 -0.453878D+00 -0.465929D+02
      2  -0.277915D+02 -0.114862D+02  0.366262D+01 -0.193290D+02 -0.215470D+02
      3   0.135399D+03  0.112260D+03 -0.111122D+02  0.796464D+02  0.215564D+03
               186           187           188           189           190 
      1   0.435414D+00  0.159691D+02 -0.495978D+01 -0.249261D+01  0.100964D+02
      2  -0.651327D+01 -0.118625D+01 -0.419429D+02 -0.813749D+01  0.458195D+01
      3  -0.229336D+02  0.287003D+02  0.592593D+02  0.138643D+02 -0.513082D+02
               191           192           193           194           195 
      1  -0.108381D+02  0.393098D+01 -0.276831D+02  0.558262D+02 -0.868483D+01
      2  -0.753238D+01  0.883951D+01 -0.119536D+02  0.457343D+02 -0.167005D+01
      3   0.367894D+02 -0.125063D+02 -0.444835D+01 -0.315176D+03  0.419173D+02
               196           197           198           199           200 
      1   0.207231D+00  0.369770D+02  0.489608D+01  0.356847D+01  0.172730D+02
      2   0.194215D+02  0.217892D+02  0.103995D+02 -0.766170D+01 -0.538145D+01
      3  -0.761448D+01 -0.481624D+02 -0.113865D+02 -0.477896D+02 -0.430076D+02
               201           202           203           204           205 
      1   0.954758D+00  0.534903D+01  0.166315D+02 -0.295321D+01 -0.118582D+00
      2  -0.107610D+01  0.177650D+02  0.163500D+01 -0.301283D+01 -0.663414D+01
      3  -0.132730D+01 -0.212036D+03 -0.670013D+02  0.507115D+02 -0.950085D+02
               206           207           208           209           210 
      1   0.241371D+02  0.330892D+01  0.491919D+01  0.448996D+02  0.883604D+01
      2  -0.115955D+01  0.380987D+01  0.268888D+02  0.361497D+02  0.328861D+01
      3  -0.623691D+02  0.195474D+02 -0.212581D+03 -0.253458D+03  0.243991D+02
               211           212           213           214           215 
      1  -0.750525D+01  0.416044D+02 -0.453739D+01  0.300459D+02  0.173252D+02
      2   0.148634D+02  0.469817D+02 -0.623168D+00  0.508924D+00 -0.435556D+01
      3  -0.125848D+03 -0.282829D+03  0.118613D+02 -0.285948D+02 -0.604786D+02
               216           217           218           219           220 
      1  -0.690654D+01 -0.709779D+01 -0.444309D+02 -0.426262D+01  0.616564D+01
      2  -0.101486D+01 -0.401519D+02 -0.205248D+02  0.412002D+01  0.107288D+02
      3  -0.181460D+02  0.313498D+03  0.191565D+03 -0.581957D+02 -0.398242D+02
               221           222           223           224           225 
      1   0.546233D+01 -0.678979D+01 -0.113419D+02 -0.204711D+02 -0.107346D+02
      2  -0.804421D+01 -0.368383D+01 -0.199101D+02 -0.164436D+02 -0.722211D+01
      3   0.563937D+02  0.129478D+02 -0.354175D+02  0.959918D+01  0.424425D+02
               226           227           228           229           230 
      1   0.257410D+01 -0.264678D+01 -0.163101D+01  0.299766D+01 -0.306805D+02
      2  -0.222165D+01 -0.190113D+02 -0.348418D+01 -0.360139D+02 -0.481390D+01
      3  -0.564945D+02  0.849934D+02  0.222751D+02  0.339218D+03  0.107276D+03
               231           232           233           234           235 
      1   0.573075D+01 -0.386247D+01 -0.192053D+01 -0.324878D+01 -0.345956D+01
      2   0.999911D+01 -0.345657D+02 -0.748919D+01  0.747824D+01  0.948803D+01
      3  -0.848736D+02  0.112496D+03  0.305650D+02 -0.279658D+02 -0.485954D+02
               236           237           238           239           240 
      1   0.519011D+01  0.113759D+01  0.646187D+00  0.208925D+01 -0.344726D+01
      2   0.194554D+02 -0.265718D+01  0.160740D+01 -0.377545D+01  0.148222D+01
      3  -0.938704D+02  0.780957D+01  0.303771D+02  0.839135D+01 -0.326331D+01
               241           242           243           244           245 
      1  -0.106191D+02 -0.984009D+01 -0.798838D+01 -0.862806D+00 -0.841087D+01
      2  -0.198455D+02  0.260022D+01  0.106495D+02 -0.557304D+01 -0.792255D+01
      3   0.301089D+02  0.335782D+02 -0.357199D+00  0.707396D+02  0.415723D+02
               246           247           248           249           250 
      1  -0.872103D+01  0.151963D+02  0.300414D+01 -0.229694D+01 -0.138993D+02
      2   0.834245D+01 -0.756399D+00 -0.605040D+00 -0.431925D+01  0.640060D+01
      3  -0.908477D+01  0.125840D+02 -0.276100D+02 -0.108832D+02  0.480654D+00
               251           252           253           254           255 
      1   0.539596D+01  0.773081D+01  0.887366D+01  0.370027D+01 -0.566090D+01
      2   0.105278D+02 -0.553434D+01 -0.271255D+02 -0.437905D+01  0.174185D+01
      3  -0.262260D+02  0.181462D+02  0.160521D+03  0.401148D+02 -0.566214D+02
               256           257           258           259           260 
      1   0.448936D+01 -0.109499D+02 -0.407580D+01 -0.114274D+02  0.816302D+01
      2  -0.370947D+01  0.154416D+01  0.927089D+01 -0.122526D+02 -0.333255D+01
      3  -0.390913D+01  0.115666D+02 -0.119619D+02 -0.305550D+02 -0.192197D+02
               261           262           263           264           265 
      1   0.103023D+02 -0.880255D+01  0.184816D+01  0.458156D+01 -0.603385D+01
      2   0.795568D+01  0.127403D+02  0.103367D+02  0.412553D+00  0.609785D+01
      3   0.166315D+02 -0.145820D+03 -0.407552D+02  0.485625D+02 -0.903999D+01
               266           267           268           269           270 
      1  -0.367147D+01 -0.355563D+00  0.274679D+01  0.597617D+01  0.393338D+01
      2   0.241514D+00 -0.409295D+01 -0.109292D+02 -0.493257D+01 -0.287059D+01
      3   0.190383D+02  0.106801D+02 -0.527673D+01 -0.822814D+01  0.107037D+02
               271           272           273           274           275 
      1   0.211574D+01 -0.239291D+01  0.614756D+01  0.333630D+01 -0.355953D+01
      2   0.127824D+01 -0.120256D+01  0.297587D+01 -0.431969D+00  0.142702D+01
      3  -0.186913D+02  0.184586D+02 -0.236747D+01  0.169568D+02 -0.223545D+02
               276           277           278           279           280 
      1  -0.268612D+01  0.270539D+01  0.500615D+00  0.966527D-01 -0.535327D+01
      2  -0.110167D+01  0.102806D+01  0.281814D+00  0.410616D+00 -0.149135D+01
      3  -0.572090D+01 -0.949792D+01  0.202570D+01 -0.632523D+01  0.670802D+01
               281           282           283           284           285 
      1  -0.941643D+00 -0.697020D+01 -0.756485D+00 -0.120807D+02 -0.129800D+02
      2   0.616495D+00 -0.325549D+00 -0.116635D+01  0.161931D+01  0.212118D+01
      3  -0.466145D+01  0.680651D+01  0.903795D+00 -0.327166D+01 -0.330395D+01
               286           287           288           289           290 
      1  -0.121642D+01 -0.861892D+01 -0.636755D+01 -0.872112D+01  0.357935D+00
      2  -0.203735D+01  0.521035D+00  0.120916D+01  0.181749D+01  0.954235D+00
      3   0.771271D+01  0.165797D+01 -0.403975D-01  0.126472D+02 -0.215821D+01
               291           292           293           294           295 
      1  -0.601654D+01  0.393965D-01 -0.232608D+01 -0.156925D+01 -0.164719D+01
      2   0.795730D+01  0.369453D+01 -0.151859D+01  0.288218D+01 -0.174514D+01
      3   0.577957D+01 -0.598546D+01  0.101033D+02 -0.110761D+01  0.560211D+01
               296           297           298           299           300 
      1  -0.126731D+01 -0.598550D+00  0.602328D+00 -0.356682D+01 -0.925538D+00
      2   0.120187D+01  0.256524D+01  0.294309D+01  0.178369D+01  0.369196D+01
      3  -0.163091D+01 -0.108862D+01 -0.664929D+01  0.339441D+01 -0.545450D+01
               301           302           303           304           305 
      1  -0.144709D+01  0.396188D+00 -0.575745D+01  0.998057D+00  0.195692D+01
      2   0.159744D+01  0.129847D+02  0.854645D+01  0.212034D+01  0.225313D+01
      3  -0.188081D+01 -0.292597D+02 -0.122543D+02 -0.641111D+01 -0.800147D+01
               306           307           308           309           310 
      1  -0.352244D+01 -0.366931D+01  0.447131D+00  0.291667D+01  0.361120D+01
      2   0.488001D+01 -0.402306D+01 -0.226341D+00  0.488686D+01  0.377656D+01
      3  -0.503792D+01  0.134487D+02 -0.554311D+01  0.351659D+00 -0.916349D+01
               311           312           313           314           315 
      1  -0.507614D+01 -0.363129D+01 -0.205028D+00  0.107136D+01 -0.396284D+00
      2  -0.699365D+01 -0.472011D+01 -0.603906D+00  0.249612D+01 -0.663736D+00
      3   0.241439D+02  0.300505D+01 -0.179482D+01  0.589521D+01 -0.272800D+01
               316           317           318           319           320 
      1   0.130717D+01  0.631360D+00  0.319045D+00  0.809767D+00  0.329926D+01
      2   0.749284D+01  0.216573D-01  0.922379D+01  0.393730D+01  0.446639D+01
      3  -0.165437D+02 -0.315588D+01 -0.440213D+01 -0.769514D+01 -0.141116D+02
               321           322           323           324           325 
      1  -0.211520D-01 -0.266725D-01 -0.157686D+00 -0.648965D+00 -0.180812D+01
      2   0.246351D+01 -0.502849D+00 -0.185151D+01  0.195892D+01  0.254772D+01
      3  -0.339965D+01 -0.631572D+01 -0.163919D+01  0.188221D+01 -0.172119D+02
               326           327           328           329           330 
      1   0.276835D+01  0.440087D+01  0.424259D+01 -0.109762D+01 -0.521007D+01
      2   0.642651D+00  0.358183D+01  0.179394D+01  0.318583D+00 -0.331298D+01
      3  -0.303835D+01  0.185100D+01 -0.101465D+01 -0.453001D+01 -0.163101D+01
               331           332           333           334           335 
      1  -0.306414D+01 -0.102738D+01 -0.128083D+01 -0.120582D+01 -0.146539D+01
      2  -0.162742D+01  0.274298D-01 -0.134351D+01 -0.292813D+01 -0.260769D+01
      3  -0.137586D+01 -0.703406D+01  0.426864D+01  0.146474D+02  0.136302D+02
               336           337           338           339           340 
      1  -0.138751D+01 -0.121932D+01 -0.842173D+01 -0.921879D+01  0.286771D+01
      2   0.173813D+00 -0.173054D+01 -0.750758D+01 -0.259790D+01  0.985668D+00
      3   0.637856D+00  0.558262D+01  0.278646D+02  0.946746D+01 -0.327098D+01
               341           342           343           344           345 
      1   0.267407D+01 -0.299221D+01 -0.131001D+01 -0.102105D+01 -0.177640D+01
      2  -0.702474D+00 -0.327559D+00  0.989275D+00  0.147749D+00  0.736059D+00
      3   0.658306D+01  0.738811D-01  0.314188D+00  0.161277D+01  0.181021D+01
               346           347           348           349           350 
      1  -0.302179D+01 -0.755877D+01 -0.880002D+01 -0.587228D+00 -0.141683D+01
      2   0.477353D-01  0.365645D+01  0.285771D+01 -0.613037D+00  0.379554D+00
      3   0.493386D+01 -0.688422D+00  0.569918D+00  0.356359D+01 -0.267308D+01
               351           352           353           354           355 
      1  -0.294927D+01 -0.533959D+00 -0.439876D+00 -0.334731D+01 -0.257052D+01
      2   0.666105D+00 -0.136436D+01 -0.492897D+00  0.501717D+01  0.248461D+01
      3  -0.154764D+00  0.310412D+02  0.836553D+01 -0.197309D+01  0.669726D+01
               356           357           358           359           360 
      1  -0.129185D+01 -0.120263D+01  0.112031D+01  0.205160D+00 -0.840301D+00
      2   0.101960D+01  0.129993D+01 -0.151502D+01 -0.106999D+01  0.875088D+00
      3   0.278487D+01  0.224019D+01 -0.441178D+01  0.925780D+00 -0.118027D-02
               361           362           363           364           365 
      1   0.200332D+01 -0.527736D+01 -0.777418D+00  0.485436D+00  0.103273D+02
      2   0.728722D+01  0.297849D+01  0.144993D+02 -0.334334D+01 -0.505631D+01
      3   0.120126D+01 -0.346066D+02  0.432692D+01  0.189560D+02  0.395328D+02
               366           367           368           369           370 
      1  -0.613513D+01 -0.855318D+01  0.135548D+02  0.816835D+01 -0.608003D-02
      2  -0.605057D+01 -0.202441D+01 -0.685752D+01 -0.121949D+02 -0.228606D+01
      3  -0.321290D+01  0.155234D+02  0.153562D+02  0.185013D+02  0.918145D+00
               371           372           373           374           375 
      1   0.427926D+01 -0.685129D+00  0.320947D+00  0.724435D+01 -0.144462D+01
      2  -0.239357D+01 -0.924172D-01 -0.345544D+01 -0.450179D+01 -0.514575D-01
      3   0.126969D+01  0.166361D+01  0.940683D+01  0.146407D+02 -0.111582D+01
               376           377           378 
      1   0.120780D+01  0.512109D+01 -0.539612D+00
      2  -0.152666D+01 -0.106112D+01 -0.657617D+00
      3  -0.223140D+01  0.292677D+01  0.279667D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.271940D+01 -0.374299D+01  0.302764D+01  0.159521D+01 -0.305815D+00
      2  -0.241152D+01  0.218008D+01  0.360488D+01  0.200386D+01 -0.156323D+01
      3  -0.307887D+00  0.156291D+01 -0.663252D+01 -0.359907D+01  0.186904D+01
      4   0.374018D+00 -0.914219D+00  0.725690D+00  0.227727D+00 -0.163971D+00
      5  -0.789035D+01  0.793442D+01  0.336621D+01  0.721117D+01 -0.860204D+01
      6   0.358623D+01 -0.558911D+01 -0.512991D+00 -0.274350D+01  0.667003D+01
                 6             7             8             9            10 
      1  -0.389147D+01  0.170569D+01 -0.354437D+01 -0.465706D+00 -0.101092D+02
      2  -0.507543D+01  0.123730D+01 -0.163449D+01 -0.220490D+01  0.143681D+02
      3   0.896690D+01 -0.294299D+01  0.517885D+01  0.267061D+01 -0.425890D+01
      4   0.729521D+00  0.164901D+01  0.564344D+00  0.125359D+00  0.188533D+02
      5  -0.482200D+01  0.238030D+01 -0.113470D+01 -0.450081D+01 -0.250764D+02
      6   0.339948D+01 -0.671049D+00  0.283338D+01  0.403390D+01  0.106957D+02
                11            12            13            14            15 
      1   0.107176D+02  0.137591D+02 -0.115148D+02  0.530336D+01 -0.853058D+01
      2   0.204547D+01  0.351346D+02  0.159652D+02 -0.316122D+01  0.148457D+02
      3  -0.127631D+02 -0.488937D+02 -0.445039D+01 -0.214214D+01 -0.631513D+01
      4   0.189370D+01  0.547643D+01  0.727308D+01  0.158269D+02  0.705704D+01
      5   0.610738D+01  0.370345D+01 -0.152101D+02  0.168213D+01 -0.114769D+01
      6  -0.515613D+01  0.156621D+02  0.126258D+02  0.495947D+01  0.133483D+02
                16            17            18            19            20 
      1  -0.831778D+01  0.351792D+01 -0.230452D+01  0.172763D+02 -0.150213D+02
      2   0.317581D+02 -0.654815D+01  0.269703D+02 -0.151514D+02  0.717067D+01
      3  -0.234403D+02  0.303023D+01 -0.246658D+02 -0.212494D+01  0.785059D+01
      4   0.113162D+02 -0.407693D+00  0.238022D+02 -0.215992D+02  0.704018D+01
      5  -0.133525D+02  0.176947D+02 -0.262729D+02  0.222224D+02 -0.208299D+02
      6   0.226576D+02 -0.117047D+02  0.203580D+02 -0.173534D+02  0.143805D+02
                21            22            23            24            25 
      1   0.170867D+02 -0.728744D+00  0.187137D+02  0.117952D+02  0.354090D+01
      2   0.429705D+01 -0.180684D+02 -0.101613D+02 -0.827360D+01 -0.201559D+02
      3  -0.213837D+02  0.187971D+02 -0.855240D+01 -0.352155D+01  0.166151D+02
      4  -0.159863D+02  0.101791D+02 -0.314349D+01 -0.143894D+01 -0.157296D+02
      5   0.284675D+01  0.143846D+02  0.104273D+02  0.183939D+02  0.230990D+02
      6   0.154219D+01  0.416873D+01 -0.970591D+01 -0.786351D+01 -0.207299D+02
                26            27            28            29            30 
      1   0.204030D+01 -0.253466D+02 -0.169840D+01  0.447641D+00 -0.327349D+01
      2   0.131437D+02 -0.458206D+02 -0.815554D+01 -0.154344D+01 -0.105998D+02
      3  -0.151840D+02  0.711672D+02  0.985393D+01  0.109580D+01  0.138732D+02
      4  -0.170389D+01 -0.172316D+02  0.537493D+00  0.283340D+01  0.873496D+00
      5  -0.176768D+02  0.997627D+01  0.687689D+01  0.358733D+01  0.131417D+02
      6   0.397005D+01 -0.456610D+02  0.117551D+01  0.187714D+01 -0.167173D+01
                31            32            33            34            35 
      1  -0.383212D+01 -0.124445D+02 -0.242370D+02 -0.507449D+01 -0.109713D+02
      2  -0.664093D+01 -0.120484D+02 -0.280210D+02 -0.112319D+02 -0.146860D+02
      3   0.104730D+02  0.244929D+02  0.522580D+02  0.163064D+02  0.256573D+02
      4   0.439975D+01  0.703661D+01  0.928857D+01  0.399864D+01  0.567813D+01
      5   0.573798D+01  0.609638D+01  0.968288D+01  0.116605D+02  0.861155D+01
      6   0.668500D+01  0.159448D+02  0.205200D+02  0.680250D+01  0.124264D+02
                36            37            38            39            40 
      1  -0.258277D+02  0.198754D+01  0.963027D+01 -0.773939D+01  0.302465D+02
      2  -0.345338D+02 -0.635695D+01 -0.195185D+02 -0.103460D+02 -0.177395D+02
      3   0.603615D+02  0.436941D+01  0.988819D+01  0.180854D+02 -0.125071D+02
      4   0.996673D+01 -0.159528D+01  0.844432D+01  0.486078D+01 -0.310364D+02
      5   0.187129D+02 -0.300499D+01  0.130314D+02 -0.136754D+01  0.189833D+02
      6   0.211735D+02  0.678990D+01 -0.992234D+00  0.659430D+01 -0.200986D+02
                41            42            43            44            45 
      1  -0.171229D+02  0.159291D+02 -0.219119D+02  0.404978D+01 -0.476959D+02
      2   0.693356D+01  0.150579D+02  0.154165D+01  0.365647D+01 -0.144197D+02
      3   0.101894D+02 -0.309870D+02  0.203702D+02 -0.770625D+01  0.621155D+02
      4   0.942072D+01 -0.147080D+02 -0.309040D+02  0.216792D+02 -0.240758D+02
      5  -0.196673D+02 -0.500289D+01  0.541752D+01 -0.221283D+02  0.144277D+02
      6   0.167427D+02  0.705492D+01 -0.366955D+02  0.392912D+02 -0.496313D+02
                46            47            48            49            50 
      1   0.257062D+02 -0.133462D+01  0.930040D+01 -0.437242D+01  0.110196D+01
      2  -0.470640D+02  0.670814D+01 -0.386301D+02 -0.210126D+01 -0.253716D+01
      3   0.213578D+02 -0.537352D+01  0.293297D+02  0.647368D+01  0.143520D+01
      4  -0.264472D+02  0.100318D+02 -0.202747D+02  0.967950D+01 -0.359204D+01
      5   0.674347D+02 -0.123947D+02  0.566917D+02 -0.226820D+01  0.690221D+01
      6  -0.266393D+02  0.110300D+02 -0.258494D+02  0.716143D+01 -0.360024D+01
                51            52            53            54            55 
      1  -0.423609D+01  0.138068D+02 -0.100156D+00  0.607415D+01  0.202138D+02
      2  -0.680496D+01 -0.380659D+02  0.204351D+01 -0.368774D+02 -0.964267D+01
      3   0.110410D+02  0.242591D+02 -0.194335D+01  0.308033D+02 -0.105711D+02
      4   0.612718D+01 -0.130227D+02  0.455961D+01 -0.115835D+02  0.147896D+02
      5   0.221276D+01  0.499490D+02 -0.536311D+01  0.477948D+02 -0.237745D+00
      6   0.418872D+01 -0.153241D+02  0.594196D+01 -0.155376D+02  0.139630D+02
                56            57            58            59            60 
      1   0.176033D+01  0.146743D+02  0.615103D+01 -0.172610D+02  0.168744D+02
      2   0.179507D+00 -0.856405D+01  0.251953D+02 -0.173101D+01  0.656355D+01
      3  -0.193983D+01 -0.611025D+01 -0.313464D+02  0.189920D+02 -0.234379D+02
      4  -0.163605D+02  0.145113D+02  0.836256D+01  0.888343D+00  0.265698D+02
      5   0.126088D+02  0.605329D+01 -0.265215D+02  0.199106D+02 -0.218034D+02
      6  -0.227518D+02  0.895450D+01  0.293560D+02 -0.350514D+02  0.416624D+02
                61            62            63            64            65 
      1  -0.141295D+02  0.219281D+02  0.137332D+02  0.128652D+02 -0.348589D+01
      2   0.287605D+02 -0.254567D+02  0.149720D+02  0.118257D+02 -0.180793D+02
      3  -0.146309D+02  0.352862D+01 -0.287052D+02 -0.246909D+02  0.215652D+02
      4   0.349124D+02  0.114900D+01  0.155958D+02 -0.479560D+02  0.440035D+02
      5  -0.194625D+02  0.162804D+02 -0.994753D+01  0.156301D+02 -0.135705D+02
      6   0.237437D+02  0.127139D+01  0.134703D+02 -0.207916D+02  0.228213D+02
                66            67            68            69            70 
      1  -0.444700D+00 -0.595932D+01 -0.283335D+01  0.192883D+01  0.204877D+01
      2   0.256839D+01 -0.212772D+02  0.334108D+02 -0.430397D+01 -0.404005D+01
      3  -0.212369D+01  0.272366D+02 -0.305775D+02  0.237514D+01  0.199128D+01
      4  -0.102775D+02  0.467066D+02 -0.498417D+02  0.653233D+01 -0.124541D+00
      5   0.772354D+01 -0.100367D+02  0.986416D+01 -0.505286D+01  0.616273D+01
      6  -0.994817D+01  0.187724D+02 -0.239093D+02  0.813313D+01 -0.502592D+01
                71            72            73            74            75 
      1  -0.210053D+01 -0.243614D+00 -0.275096D+02 -0.214469D+01 -0.262899D+02
      2   0.766957D+01  0.248259D+01 -0.204005D+02  0.580459D+01 -0.259573D+02
      3  -0.556904D+01 -0.223898D+01  0.479101D+02 -0.365990D+01  0.522472D+02
      4  -0.367014D+01 -0.560290D+01 -0.456041D+02  0.150695D+02 -0.330327D+02
      5  -0.438331D+01  0.195417D+01  0.201516D+02 -0.151944D+02  0.201185D+02
      6   0.336462D+01 -0.253376D+01 -0.369126D+02  0.488768D+01 -0.321760D+02
                76            77            78            79            80 
      1   0.406792D+02 -0.326216D+02  0.279296D+02 -0.455189D+00 -0.561892D+01
      2   0.419613D+02  0.423437D+02  0.810281D+02  0.123796D+02  0.126861D+02
      3  -0.826404D+02 -0.972211D+01 -0.108958D+03 -0.119244D+02 -0.706721D+01
      4   0.482332D+02 -0.322950D+02  0.449374D+02  0.126403D+01 -0.851116D+01
      5  -0.440670D+02 -0.314984D-01 -0.428947D+02 -0.650934D+01 -0.646471D+01
      6   0.581704D+02 -0.938695D+01  0.671676D+02  0.604366D+01  0.120251D+02
                81            82            83            84            85 
      1  -0.451277D+01 -0.559129D+02  0.916887D+02 -0.132384D+02 -0.181356D+02
      2   0.358954D+02 -0.188735D+01 -0.817621D+02 -0.331380D+02 -0.103162D+02
      3  -0.313826D+02  0.578003D+02 -0.992657D+01  0.463765D+02  0.284518D+02
      4   0.187493D+01 -0.412514D+02  0.207194D+02 -0.216052D+02 -0.261353D+02
      5  -0.193370D+02  0.139700D+02  0.570711D+01  0.269554D+02  0.115978D+02
      6   0.117642D+02 -0.212984D+02 -0.104299D+02 -0.471337D+02 -0.110867D+02
                86            87            88            89            90 
      1  -0.109720D+02  0.123668D+01 -0.480628D+02  0.864307D+02 -0.341948D+02
      2   0.109475D+02 -0.439374D+02  0.576969D+00 -0.101684D+03 -0.207266D+02
      3   0.244853D-01  0.427007D+02  0.474858D+02  0.152530D+02  0.549214D+02
      4   0.332933D+02 -0.666222D+01 -0.170841D+02  0.144528D+02 -0.288223D+02
      5   0.217733D+01  0.189332D+02  0.297921D+02  0.702900D+00  0.232753D+02
      6  -0.164006D+02 -0.123312D+02 -0.455307D+02  0.356859D+02 -0.554650D+02
                91            92            93            94            95 
      1   0.644853D+02 -0.279266D+02  0.410690D+02 -0.103166D+02  0.485348D+01
      2   0.229042D+02  0.248455D+02  0.511590D+02 -0.464410D+02 -0.117309D+02
      3  -0.873895D+02  0.308117D+01 -0.922280D+02  0.567576D+02  0.687740D+01
      4   0.632011D+02 -0.295892D+02  0.487930D+02 -0.321012D+02  0.438770D+01
      5  -0.372494D+02  0.303820D+00 -0.308738D+02  0.280019D+02 -0.772346D+01
      6   0.573376D+02 -0.899425D+01  0.628314D+02 -0.453713D+02  0.329646D+01
                96            97            98            99           100 
      1  -0.952852D+01  0.246791D+02 -0.150977D+02  0.212894D+02 -0.324266D+02
      2  -0.608149D+02 -0.126075D+02  0.932713D+01 -0.527949D+01 -0.152608D+02
      3   0.703435D+02 -0.120716D+02  0.577057D+01 -0.160099D+02  0.476874D+02
      4  -0.399138D+02  0.118583D+02 -0.257840D+02  0.833370D+01 -0.349391D+02
      5   0.363464D+02 -0.761609D+00 -0.286847D+01 -0.312809D+01  0.417338D+01
      6  -0.478499D+02  0.652474D+01 -0.436476D+01  0.682761D+01 -0.286697D+02
               101           102           103           104           105 
      1  -0.180433D+02 -0.228768D+02 -0.120619D+03  0.171010D+03 -0.771755D+02
      2   0.660080D+01 -0.217749D+02  0.531066D+02 -0.130891D+03  0.308458D+02
      3   0.114425D+02  0.446518D+02  0.675121D+02 -0.401195D+02  0.463297D+02
      4   0.378337D+02 -0.268245D+02 -0.552808D+02 -0.129063D+02 -0.432919D+02
      5   0.143125D+02  0.146341D+02  0.342379D+01 -0.386534D+02  0.528884D+00
      6   0.415145D+01 -0.269177D+02 -0.556792D+02  0.198239D+02 -0.322620D+02
               106           107           108           109           110 
      1  -0.858989D+02  0.732647D+02 -0.494290D+02 -0.125833D+02  0.494389D+02
      2   0.252917D+02 -0.503462D+02 -0.374936D+01  0.492177D+02 -0.576120D+02
      3   0.606071D+02 -0.229185D+02  0.531784D+02 -0.366343D+02  0.817314D+01
      4  -0.416190D+02  0.988775D+01 -0.334858D+02  0.523534D+02  0.274137D+02
      5   0.756564D+01 -0.121507D+02 -0.838660D+00  0.908595D+01  0.122360D+02
      6  -0.413146D+02  0.906834D+01 -0.372135D+02  0.346799D+02 -0.105155D+02
               111           112           113           114           115 
      1   0.273375D+02  0.146638D+03 -0.199902D+03  0.893059D+02  0.618341D+02
      2   0.527312D+01 -0.649306D+02  0.157917D+03 -0.225779D+02 -0.105886D+02
      3  -0.326107D+02 -0.817071D+02  0.419856D+02 -0.667280D+02 -0.512455D+02
      4   0.396960D+02  0.608171D+02 -0.148201D+02  0.407079D+02  0.407344D+02
      5   0.439914D+01 -0.995355D+01  0.377045D+02 -0.381033D+01 -0.243153D+01
      6   0.220731D+02  0.578092D+02 -0.243817D+02  0.383730D+02  0.420896D+02
               116           117           118           119           120 
      1  -0.573248D+02  0.356954D+02  0.100555D+03 -0.155347D+03  0.527900D+02
      2   0.242119D+02 -0.254972D+00 -0.434783D+02  0.159264D+03 -0.380134D+01
      3   0.331129D+02 -0.354405D+02 -0.570763D+02 -0.391694D+01 -0.489886D+02
      4  -0.133156D+02  0.412502D+02  0.503447D+02 -0.489110D+02  0.178478D+02
      5   0.302555D+02 -0.331408D+01 -0.222731D+02  0.604712D+00 -0.196044D+02
      6   0.836322D+00  0.373491D+02  0.275197D+02 -0.380706D+02  0.256751D+02
               121           122           123           124           125 
      1  -0.554952D+02  0.814472D+02 -0.191209D+02  0.522686D+02 -0.466589D+02
      2   0.456228D+02 -0.527316D+02  0.729301D+01 -0.365674D+02  0.370728D+02
      3   0.987237D+01 -0.287156D+02  0.118279D+02 -0.157012D+02  0.958610D+01
      4   0.742748D+01  0.260920D+02 -0.457213D+01  0.163807D+02 -0.430376D+02
      5   0.611645D+01 -0.155134D+02  0.594774D+01 -0.171159D+01 -0.255661D+01
      6  -0.134130D+02 -0.106205D+02 -0.175970D+02  0.227769D+02 -0.743987D+01
               126           127           128           129           130 
      1   0.128809D+02 -0.117150D+03  0.143656D+03 -0.434320D+02 -0.117551D+02
      2   0.285177D+01  0.720858D+02 -0.573713D+02  0.302188D+02  0.885771D+01
      3  -0.157326D+02  0.450644D+02 -0.862842D+02  0.132132D+02  0.289735D+01
      4   0.918587D+01 -0.923525D+01 -0.140258D+03 -0.321378D+01 -0.181828D+01
      5  -0.189173D+02 -0.130925D+02 -0.104455D+03  0.338140D+00 -0.143354D+02
      6   0.502650D+02 -0.182939D+02  0.496114D+01 -0.703779D+01  0.168070D+02
               131           132           133           134           135 
      1  -0.604580D+02  0.122585D+02 -0.307985D+02  0.196852D+02 -0.127884D+02
      2   0.707472D+02 -0.202816D+02  0.258643D+02  0.983639D+01  0.415050D+01
      3  -0.102892D+02  0.802313D+01  0.493421D+01 -0.295216D+02  0.863790D+01
      4  -0.539162D+02  0.117447D+02  0.727660D+01 -0.570824D+02  0.243872D+01
      5  -0.412871D+02  0.582484D+01 -0.151011D+02 -0.439686D+02 -0.752082D+01
      6  -0.604229D+01 -0.347426D+01  0.370358D+00  0.134652D+01  0.151689D+01
               136           137           138           139           140 
      1   0.139774D+03 -0.145864D+03  0.463553D+02 -0.269781D+02  0.572599D+02
      2  -0.760685D+02  0.553567D+02 -0.190788D+02  0.222122D+02 -0.862647D+02
      3  -0.637050D+02  0.905076D+02 -0.272764D+02  0.476587D+01  0.290048D+02
      4  -0.289272D+01  0.131548D+03 -0.781801D+01  0.472147D+02  0.696811D+02
      5   0.137838D+02  0.110265D+03 -0.805061D+01  0.168723D+02  0.505385D+02
      6   0.112480D+02 -0.167734D+01  0.888577D+01  0.176579D+02 -0.294729D+01
               141           142           143           144           145 
      1  -0.245935D+01  0.937010D+01 -0.297769D+02  0.228508D+02  0.281524D+02
      2   0.592819D+01 -0.882840D+01 -0.287782D+01 -0.244576D+02  0.925151D+01
      3  -0.346884D+01 -0.541698D+00  0.326547D+02  0.160682D+01 -0.374039D+02
      4   0.167042D+02  0.522958D+01  0.571179D+02  0.110308D+02  0.547151D+02
      5   0.553944D+01  0.335117D+02  0.545618D+02  0.118646D+02 -0.162652D+02
      6   0.544744D+01  0.167026D+02 -0.297196D+00 -0.115236D+01  0.180631D+02
               146           147           148           149           150 
      1  -0.287628D+02  0.365080D+01 -0.141213D+02  0.263010D+02 -0.342237D+02
      2   0.149431D+02  0.229008D+00 -0.961696D+01  0.425520D+02  0.250813D+02
      3   0.138197D+02 -0.387980D+01  0.237382D+02 -0.688530D+02  0.914240D+01
      4   0.536370D+02  0.240084D+02 -0.583185D+02 -0.116333D+03 -0.365799D+02
      5   0.175300D+02  0.110191D+02 -0.353369D+02 -0.881351D+02 -0.241971D+02
      6   0.988410D+01  0.209941D+02 -0.452031D+02 -0.263529D+01 -0.271318D+02
               151           152           153           154           155 
      1  -0.262881D+02 -0.165695D+02  0.378295D+01 -0.444009D+02  0.201602D+02
      2  -0.111645D+02  0.236910D+02 -0.215961D+02 -0.115311D+02  0.429463D+02
      3   0.374526D+02 -0.712149D+01  0.178132D+02  0.559319D+02 -0.631065D+02
      4  -0.392244D+02 -0.245791D+02  0.750038D+01 -0.718733D+02 -0.390265D+02
      5   0.237563D+02 -0.190558D+02  0.262499D+02 -0.162403D+02 -0.571211D+02
      6   0.874367D+01  0.534060D+01  0.981787D+01 -0.515610D+02 -0.806437D+00
               156           157           158           159           160 
      1  -0.406932D+02  0.589696D+02 -0.900678D+01  0.393812D+02 -0.264550D+01
      2   0.146907D+02 -0.224980D+02 -0.390094D+01 -0.315873D+02 -0.244371D+02
      3   0.260024D+02 -0.364716D+02  0.129077D+02 -0.779384D+01  0.270826D+02
      4  -0.569799D+02  0.705331D+02  0.734642D+02  0.117912D+02 -0.296174D+02
      5  -0.230504D+02  0.180953D+02  0.291683D+02  0.145052D+02  0.997113D+01
      6  -0.396572D+02  0.169637D+02 -0.167265D+02  0.953621D+01 -0.133717D+02
               161           162           163           164           165 
      1  -0.967204D+01 -0.270144D+02 -0.937202D+02 -0.811476D+02  0.217155D+00
      2  -0.176853D+02 -0.955053D+01  0.640284D+02  0.980174D+02  0.120305D+01
      3   0.273573D+02  0.365650D+02  0.296918D+02 -0.168697D+02 -0.142021D+01
      4  -0.274880D+02 -0.120043D+01  0.644254D+02 -0.978175D+01 -0.135289D+02
      5   0.147025D+02  0.164987D+02 -0.553570D+02 -0.666863D+02  0.129583D+01
      6   0.228383D+02  0.401697D+01 -0.715197D+01  0.288335D+02  0.496994D+00
               166           167           168           169           170 
      1   0.743396D+02  0.518574D+02  0.397734D+00  0.255469D+02  0.100781D+02
      2  -0.546632D+02 -0.104065D+03  0.533792D+01 -0.198938D+02 -0.215255D+02
      3  -0.196764D+02  0.522072D+02 -0.573566D+01 -0.565310D+01  0.114474D+02
      4  -0.154666D+02  0.929965D+02 -0.878058D+01  0.589654D+00  0.316237D+02
      5   0.398627D+02  0.879912D+02 -0.687788D+01  0.583886D+01  0.313761D+02
      6  -0.147500D+02 -0.145346D+02 -0.138249D+01  0.154221D+00 -0.329792D+01
               171           172           173           174           175 
      1  -0.695575D+01  0.121297D+03  0.288146D+02 -0.702316D+01 -0.578037D+02
      2  -0.260356D+01 -0.746285D+02 -0.442089D+02  0.109788D+02  0.467621D+02
      3   0.955931D+01 -0.466682D+02  0.153943D+02 -0.395569D+01  0.110416D+02
      4   0.154391D+01 -0.815694D+02 -0.608965D+01 -0.237969D+01  0.733767D+01
      5   0.259505D+01  0.487214D+02  0.563680D+02 -0.989363D+01 -0.607972D+02
      6  -0.158939D+01 -0.130696D+02 -0.128902D+02 -0.179568D+01  0.314960D+01
               176           177           178           179           180 
      1  -0.943729D+02 -0.284323D+01 -0.278663D+01 -0.190381D+02 -0.552882D+00
      2   0.161158D+03  0.742752D+01  0.116489D+02  0.391292D+02  0.259112D+00
      3  -0.667847D+02 -0.458430D+01 -0.886225D+01 -0.200911D+02  0.293770D+00
      4  -0.101267D+03 -0.413053D+01 -0.543281D+01 -0.216446D+02 -0.184855D+02
      5  -0.120166D+03  0.392754D+01  0.162872D+01 -0.441618D+02 -0.967218D+01
      6   0.448275D+02  0.270889D+00 -0.138769D+02  0.260399D+02 -0.141177D+01
               181           182           183           184           185 
      1  -0.647889D+02  0.740824D+01  0.557216D+01 -0.145528D+03  0.366317D+02
      2   0.318552D+02 -0.102098D+02 -0.699805D+01  0.102818D+03 -0.231042D+02
      3   0.329338D+02  0.280156D+01  0.142589D+01  0.427097D+02 -0.135275D+02
      4   0.563588D+02  0.177480D+02  0.102481D+02  0.457582D+02 -0.267117D+02
      5  -0.279003D+02 -0.148668D+02  0.116157D+02 -0.380517D+02 -0.245807D+02
      6   0.142043D+02 -0.256105D+01 -0.239576D+01  0.242564D+02 -0.910340D+01
               186           187           188           189           190 
      1  -0.170562D+02 -0.723893D+02  0.270259D+02  0.191972D+02 -0.864196D+00
      2   0.743706D+01  0.503653D+02 -0.256287D+02 -0.158172D+02 -0.305644D+01
      3   0.961911D+01  0.220240D+02 -0.139727D+01 -0.337992D+01  0.392064D+01
      4   0.318104D+02  0.128575D+02  0.136155D+02 -0.184651D+02 -0.111927D+02
      5  -0.135512D+02  0.335563D+02 -0.521120D+02 -0.134645D+02 -0.162057D+02
      6   0.117605D+02 -0.671117D+01  0.181386D+02 -0.271452D+01  0.695464D-01
               191           192           193           194           195 
      1   0.439966D+02 -0.268978D+02  0.160036D+03 -0.107348D+03  0.120326D+01
      2  -0.379701D+02  0.148359D+02 -0.974033D+02  0.728693D+02  0.913858D+01
      3  -0.602650D+01  0.120619D+02 -0.626326D+02  0.344786D+02 -0.103418D+02
      4   0.179259D+02  0.385083D+01 -0.743623D+02  0.558145D+02 -0.254449D+02
      5  -0.399427D+01  0.119166D+02 -0.139714D+02  0.492054D+02 -0.508290D-01
      6  -0.160670D+01  0.115426D+01 -0.136960D+02  0.487790D+01 -0.235659D+01
               196           197           198           199           200 
      1   0.675581D+01 -0.327842D+02  0.237076D+02  0.446558D+02  0.473849D+02
      2  -0.109122D+02  0.197402D+02 -0.243741D+02 -0.445908D+02 -0.483283D+02
      3   0.415642D+01  0.130440D+02  0.666523D+00 -0.649389D-01  0.943311D+00
      4  -0.463697D+02  0.863229D+01 -0.119320D+02 -0.371361D+02 -0.210083D+02
      5   0.521310D+02  0.222097D+02  0.225557D+02  0.231945D+02  0.324337D+02
      6  -0.161992D+02  0.180079D+01 -0.123044D+02  0.553436D+01 -0.179676D+02
               201           202           203           204           205 
      1  -0.625175D+01 -0.351357D+01  0.286633D+02  0.982761D+01  0.144179D+01
      2   0.520466D+00  0.252397D+02 -0.403293D+02 -0.190649D+02  0.104372D+02
      3   0.573128D+01 -0.217261D+02  0.116660D+02  0.923730D+01 -0.118789D+02
      4   0.108740D+02 -0.132048D+03 -0.321033D+02  0.309161D+02 -0.524835D+02
      5   0.311631D+01  0.526997D+02  0.124764D+02 -0.112837D+02  0.248212D+02
      6  -0.543751D+01  0.252798D+02 -0.797541D+01 -0.520281D+01  0.101528D+02
               206           207           208           209           210 
      1   0.704175D+01  0.436411D+01  0.587913D+01  0.116159D+03  0.168371D+02
      2  -0.827174D+01 -0.125570D+02 -0.961553D+01 -0.149404D+03 -0.103794D+02
      3   0.122999D+01  0.819290D+01  0.373640D+01  0.332450D+02 -0.645779D+01
      4  -0.714178D+01  0.988671D+01 -0.477653D+02  0.327406D+02  0.204303D+02
      5   0.510004D+01 -0.509615D+00  0.537786D+02  0.618826D+02  0.838293D+01
      6  -0.232224D+01 -0.627430D+01  0.483337D+01 -0.387158D+02 -0.257592D+02
               211           212           213           214           215 
      1   0.186284D+02  0.691897D+02  0.271196D+01 -0.513814D+01  0.210123D+02
      2  -0.290295D+02 -0.113636D+03 -0.499465D+01  0.190484D+02 -0.436479D+02
      3   0.104010D+02  0.444465D+02  0.228269D+01 -0.139102D+02  0.226356D+02
      4  -0.150574D+01  0.557293D+02  0.212747D+02 -0.517642D+01  0.262053D+02
      5   0.302204D+02  0.877107D+02  0.112831D+01  0.360362D+02  0.120731D+02
      6   0.135975D+02 -0.446458D+02 -0.449402D+01 -0.366940D+02  0.857009D+01
               216           217           218           219           220 
      1  -0.657870D+01  0.192723D+02 -0.824812D+02 -0.134169D+02 -0.202590D+02
      2   0.373212D+00 -0.307018D+02  0.114075D+03  0.136288D+02  0.212170D+02
      3   0.620549D+01  0.114295D+02 -0.315940D+02 -0.211871D+00 -0.957997D+00
      4  -0.263861D+02  0.115864D+03 -0.420300D+02 -0.416208D+02 -0.834078D+01
      5  -0.108445D+02 -0.645759D+02 -0.681509D+02 -0.254053D+01  0.150306D+02
      6   0.111823D+02 -0.217787D+02  0.331888D+02  0.240229D+02  0.195178D+01
               221           222           223           224           225 
      1  -0.187912D+02  0.175308D+02 -0.116841D+02  0.845092D+01 -0.246712D+02
      2   0.322458D+02 -0.260944D+02  0.626869D+01 -0.361769D+02  0.139588D+02
      3  -0.134546D+02  0.856363D+01  0.541538D+01  0.277260D+02  0.107123D+02
      4  -0.380305D+02  0.488445D+01 -0.101023D+02 -0.313982D+01  0.217298D-02
      5  -0.948939D+01 -0.621850D+01  0.722335D+01 -0.175614D+02 -0.128008D+02
      6  -0.211961D+02  0.271176D+01  0.169721D+02  0.474961D+02  0.165210D+02
               226           227           228           229           230 
      1  -0.634956D+02  0.391769D+01  0.113403D+02  0.132522D+02 -0.430441D+02
      2   0.597598D+02 -0.234515D+01 -0.127436D+02 -0.338289D+02  0.631963D+02
      3   0.373585D+01 -0.157254D+01  0.140331D+01  0.205767D+02 -0.201522D+02
      4  -0.266620D+02  0.264365D+02  0.225929D+02  0.136195D+03  0.364076D+02
      5   0.200447D+02  0.858486D+01 -0.880806D+01 -0.654856D+02 -0.227385D+02
      6   0.134509D+02 -0.110112D+01 -0.398722D+01 -0.278569D+02  0.128192D+02
               231           232           233           234           235 
      1  -0.717076D+01  0.107030D+02 -0.409139D+01 -0.200254D+02  0.484423D+02
      2   0.258275D+02 -0.171753D+02  0.735019D+01  0.187091D+02 -0.416447D+02
      3  -0.186567D+02  0.647236D+01 -0.325880D+01  0.131623D+01 -0.679757D+01
      4  -0.331059D+02  0.478517D+02  0.120945D+02 -0.126147D+02 -0.262977D+02
      5   0.133885D+02 -0.271997D+02 -0.573759D+01  0.981134D+01 -0.513308D+01
      6   0.755659D+01 -0.109286D+02  0.176439D+02  0.819335D+01 -0.914281D+00
               236           237           238           239           240 
      1   0.233883D+01 -0.141939D+02 -0.454386D+01  0.603504D+01  0.172259D+02
      2  -0.192978D+02  0.718224D+01  0.905701D+01 -0.812907D+00 -0.229729D+02
      3   0.169590D+02  0.701163D+01 -0.451315D+01 -0.522213D+01  0.574699D+01
      4  -0.592531D+02 -0.121241D+02  0.335542D+02  0.177621D+02 -0.110952D+02
      5  -0.667162D+01 -0.224658D+01  0.337339D+01 -0.110295D+02 -0.639626D+00
      6   0.843847D+01  0.107562D+00 -0.878750D+01 -0.265450D+02  0.430213D+01
               241           242           243           244           245 
      1  -0.889663D+01  0.207310D+02 -0.879816D+01 -0.565044D+01 -0.302789D+02
      2   0.599733D+01 -0.274080D+02  0.770601D+01 -0.361424D+01  0.412063D+02
      3   0.289930D+01  0.667696D+01  0.109214D+01  0.926468D+01 -0.109274D+02
      4   0.264265D+02  0.102109D+02  0.144084D+02  0.304412D+02  0.411982D+02
      5   0.103072D+02  0.109728D+02  0.980287D+01 -0.172582D+02  0.496851D+01
      6   0.947326D+01  0.217911D+02  0.118634D+02 -0.323070D+00  0.208375D+01
               246           247           248           249           250 
      1  -0.638105D+01  0.485034D+02 -0.182869D+02 -0.226045D+02  0.382933D+02
      2   0.108101D+02 -0.545250D+02  0.496302D+01  0.193631D+02 -0.372394D+02
      3  -0.442902D+01  0.602162D+01  0.133238D+02  0.324140D+01 -0.105397D+01
      4   0.416728D+01 -0.133119D+02 -0.418169D+02 -0.245839D+02 -0.178880D+02
      5   0.217006D+02 -0.449514D+02 -0.114736D+02  0.896313D+01  0.152922D+02
      6   0.128528D+02 -0.231994D+02 -0.329682D+01  0.569253D+01  0.179313D+02
               251           252           253           254           255 
      1   0.354155D+01 -0.797360D+01  0.187624D+02  0.195094D+02 -0.989507D+01
      2  -0.146528D+02  0.309392D+01 -0.263333D+02  0.509614D+01  0.900268D+01
      3   0.111112D+02  0.487968D+01  0.757082D+01 -0.246056D+02  0.892392D+00
      4  -0.406538D+02  0.135559D+02  0.758920D+02  0.191674D+02 -0.108696D+02
      5   0.713197D+01 -0.791365D+01 -0.275791D+02  0.763243D+00 -0.102921D+01
      6   0.189791D+02 -0.947957D+01 -0.625081D+01  0.811975D+01  0.492575D+01
               256           257           258           259           260 
      1  -0.276494D+02  0.897280D+01  0.110385D+02 -0.784897D+01 -0.286689D+01
      2   0.362159D+02 -0.803005D+00 -0.591706D+00  0.164055D+02  0.415398D+01
      3  -0.856657D+01 -0.816980D+01 -0.104468D+02 -0.855654D+01 -0.128709D+01
      4  -0.912306D+01  0.417903D+02  0.144030D+02 -0.224605D+02  0.100913D+02
      5   0.104122D+02  0.978706D+01  0.924694D+01  0.190842D+02  0.840372D+01
      6   0.128017D+02 -0.219310D+01 -0.319728D+01  0.185690D+02  0.282964D+01
               261           262           263           264           265 
      1   0.683907D+01 -0.416752D+02 -0.123482D+02  0.146567D+02 -0.131630D+02
      2  -0.930358D+01  0.520668D+02 -0.445500D+01 -0.242876D+02  0.998510D+01
      3   0.246451D+01 -0.103916D+02  0.168032D+02  0.963098D+01  0.317794D+01
      4   0.151412D+02 -0.733862D+02 -0.217474D+02  0.810156D+01  0.110521D+02
      5  -0.347256D+01  0.448002D+02 -0.153633D+02 -0.149175D+02  0.164077D+02
      6  -0.129760D+02  0.678407D+01  0.169446D+01 -0.373058D+01 -0.220193D+01
               266           267           268           269           270 
      1   0.802572D+01  0.798277D+01 -0.116652D+00  0.905078D+01 -0.101388D+02
      2  -0.152282D+02 -0.722525D+01 -0.822181D+00 -0.325081D+01 -0.995327D+01
      3   0.720247D+01 -0.757511D+00  0.938833D+00 -0.579997D+01  0.200920D+02
      4  -0.108937D+02  0.589419D-01  0.134597D+02  0.820300D+01 -0.889742D+01
      5   0.334467D+01 -0.976803D+01  0.271423D+01 -0.807697D+01  0.395815D+00
      6  -0.697737D+01  0.950384D+00 -0.202010D+01  0.169254D+01 -0.939395D+01
               271           272           273           274           275 
      1  -0.972745D+01  0.229690D+02 -0.161431D+01  0.157948D+02 -0.383253D+02
      2   0.309988D+02 -0.536449D+02 -0.468510D+00 -0.370923D+02  0.813430D+02
      3  -0.212714D+02  0.306759D+02  0.208282D+01  0.212976D+02 -0.430177D+02
      4  -0.336488D+02  0.450866D+02  0.185859D+01  0.315556D+02 -0.493244D+02
      5  -0.267472D+01  0.401046D+01  0.351898D+01  0.568483D+01 -0.809600D+01
      6  -0.345646D+01  0.601296D+01 -0.748901D+01 -0.357753D+01  0.250431D+01
               276           277           278           279           280 
      1  -0.410211D+01  0.187088D+01 -0.883089D+01 -0.260053D+01 -0.187039D+01
      2   0.625974D+01 -0.612388D+01  0.144403D+02  0.247600D+01  0.558218D+01
      3  -0.215763D+01  0.425300D+01 -0.560940D+01  0.124534D+00 -0.371178D+01
      4  -0.542031D+01 -0.387182D+01 -0.193336D+00 -0.652835D+01  0.791672D+01
      5  -0.264890D+01  0.299522D+01 -0.401630D+01 -0.810013D-01  0.124046D+01
      6   0.586069D+01 -0.529684D+01  0.720968D+01  0.146030D+01  0.853631D+01
               281           282           283           284           285 
      1  -0.921297D+01 -0.388610D+01 -0.673669D+01 -0.612632D+02 -0.300042D+02
      2   0.124286D+02  0.541657D+01  0.975494D+01  0.963067D+02  0.396488D+02
      3  -0.321560D+01 -0.153048D+01 -0.301825D+01 -0.350435D+02 -0.964461D+01
      4   0.145703D+02  0.100256D+02  0.841565D+01  0.257652D+02  0.999846D+01
      5   0.418084D+01  0.286378D+01  0.186972D+01 -0.126780D+01 -0.772299D-01
      6   0.978808D+01  0.106488D+02  0.504126D+01  0.499395D+02  0.331728D+02
               286           287           288           289           290 
      1  -0.520203D+01 -0.333416D+02 -0.215460D+02  0.107607D+03  0.265569D+02
      2   0.116119D+02  0.473779D+02  0.264626D+02 -0.672399D+02 -0.142372D+02
      3  -0.640982D+01 -0.140363D+02 -0.491652D+01 -0.403670D+02 -0.123197D+02
      4   0.107416D+02  0.192065D+02  0.122463D+02  0.652225D+02  0.257850D+02
      5   0.192881D+01  0.199500D+01  0.324035D+01  0.575334D+02  0.146827D+02
      6   0.484504D+01  0.359167D+02  0.235287D+02  0.170175D+02  0.716793D+01
               291           292           293           294           295 
      1   0.381948D+02  0.602920D+01  0.146524D+02  0.406592D+01  0.379258D+02
      2  -0.290278D+02 -0.146918D+01 -0.509275D+01 -0.289387D+01 -0.226325D+02
      3  -0.916700D+01 -0.456002D+01 -0.955969D+01 -0.117204D+01 -0.152933D+02
      4   0.249796D+02  0.242692D+02  0.130567D+02  0.114672D+02  0.280914D+02
      5   0.337909D+02  0.116398D+02  0.587883D+01  0.810841D+01  0.246841D+02
      6   0.103086D+02  0.925289D+01  0.434537D+01  0.657137D+01  0.798421D+01
               296           297           298           299           300 
      1   0.765113D+01  0.159352D+02  0.677033D+00  0.556358D+01 -0.838481D+00
      2  -0.450071D+01 -0.119366D+02  0.460068D+01  0.118660D+01  0.121085D+01
      3  -0.315043D+01 -0.399858D+01 -0.527771D+01 -0.675018D+01 -0.372366D+00
      4   0.102061D+02  0.125528D+02  0.199592D+02  0.254041D+02  0.147420D+02
      5   0.977239D+01  0.158232D+02  0.945904D+01  0.126604D+02  0.106509D+02
      6   0.528352D+01  0.550943D+01  0.104836D+02  0.132140D+02  0.874789D+01
               301           302           303           304           305 
      1  -0.610017D+01 -0.355196D+02 -0.171647D+02 -0.565140D+01 -0.942294D+01
      2   0.184545D+02  0.552142D+02  0.207571D+02  0.840188D+01  0.219325D+02
      3  -0.123543D+02 -0.196947D+02 -0.359235D+01 -0.275047D+01 -0.125095D+02
      4   0.354822D+02  0.696740D+02  0.341115D+02  0.228598D+02  0.407669D+02
      5   0.125465D+02  0.264606D+02  0.176542D+02  0.121846D+02  0.140612D+02
      6   0.204183D+02  0.517559D+02  0.321710D+02  0.140143D+02  0.273838D+02
               306           307           308           309           310 
      1  -0.925989D+01  0.785861D+02 -0.433436D+02 -0.370554D+01 -0.444104D+02
      2   0.905161D+01 -0.297470D+02  0.135785D+02  0.214584D+01  0.810434D+01
      3   0.208281D+00 -0.488391D+02  0.297650D+02  0.155970D+01  0.363061D+02
      4   0.209974D+02 -0.765321D+02  0.520857D+02  0.160737D+01  0.678020D+02
      5   0.135469D+02 -0.105462D+02  0.228820D+01  0.917819D+01  0.102231D+02
      6   0.217568D+02 -0.129393D+01  0.181397D+01 -0.413865D+01 -0.139243D+01
               311           312           313           314           315 
      1   0.305553D+02  0.446157D+01 -0.590613D+01  0.241452D+01  0.182130D+01
      2   0.142591D+01 -0.208489D+01  0.895158D+00  0.155322D+01 -0.719308D+00
      3  -0.319812D+02 -0.237669D+01  0.501098D+01 -0.396774D+01 -0.110199D+01
      4  -0.612193D+02 -0.549867D+01  0.118470D+02 -0.122771D+02 -0.338004D+01
      5  -0.128406D+02 -0.795857D+01  0.632138D+01  0.281670D+00 -0.139485D+01
      6   0.245386D+01  0.483808D+01 -0.236797D+01  0.106169D+01  0.218101D+01
               316           317           318           319           320 
      1   0.165571D+03  0.838059D+01  0.312707D+02  0.212472D+02  0.107246D+02
      2  -0.102414D+03 -0.551054D+01 -0.222771D+02 -0.144749D+02 -0.682978D+01
      3  -0.631572D+02 -0.287005D+01 -0.899369D+01 -0.677236D+01 -0.389486D+01
      4   0.732984D+00  0.812747D+01 -0.131658D+01  0.189776D+02  0.554662D+01
      5   0.431775D+02  0.155865D+01  0.212853D+02  0.111327D+02  0.860709D+01
      6  -0.669243D+01  0.100894D+01 -0.242529D+01  0.184236D+01 -0.611886D+00
               321           322           323           324           325 
      1   0.721420D+01  0.451109D+02  0.423382D+01  0.120349D+02  0.180891D+02
      2  -0.582018D+01 -0.303504D+02 -0.168686D+01 -0.912172D+01  0.131137D+02
      3  -0.139401D+01 -0.147605D+02 -0.254696D+01 -0.291320D+01 -0.312028D+02
      4   0.402216D+01  0.383064D+01  0.242030D+01  0.357676D+00 -0.703607D+02
      5   0.493430D+01  0.158921D+02 -0.330788D+01  0.807943D+01 -0.155473D+02
      6   0.126441D+01 -0.116441D+01  0.229170D+01  0.600380D+00  0.113312D+02
               326           327           328           329           330 
      1  -0.516434D+01 -0.282364D+01  0.390719D+01 -0.931209D+01 -0.238621D+01
      2  -0.243201D+02 -0.269267D+01 -0.274784D+02  0.423778D+02  0.765421D+01
      3   0.294844D+02  0.551631D+01  0.235712D+02 -0.330657D+02 -0.526800D+01
      4   0.639819D+02  0.164501D+02  0.526086D+02 -0.676269D+02 -0.170106D+02
      5   0.156860D+02  0.104893D+02  0.147302D+02 -0.134697D+02 -0.881969D+01
      6  -0.129707D+02 -0.914224D+01 -0.149004D+02  0.164852D+02  0.117805D+02
               331           332           333           334           335 
      1   0.422295D+00 -0.796539D+00 -0.846290D-01 -0.746203D+01 -0.173347D+02
      2  -0.970432D+01  0.669015D+01  0.306342D+01  0.111621D+02  0.233273D+02
      3   0.928203D+01 -0.589361D+01 -0.297879D+01 -0.370012D+01 -0.599252D+01
      4   0.164946D+02 -0.170587D+02 -0.682299D+01  0.454801D+01  0.165450D+02
      5   0.503650D+01 -0.691581D+01 -0.437870D+01 -0.132134D+01  0.231084D+01
      6  -0.270319D+01  0.905962D+01  0.427352D+01  0.432248D+01  0.738001D+01
               336           337           338           339           340 
      1  -0.427411D+01 -0.329769D+01 -0.883336D+02 -0.246321D+02 -0.300585D+00
      2   0.503341D+01  0.312710D+01  0.131472D+03  0.312411D+02  0.226495D+01
      3  -0.759301D+00  0.170588D+00 -0.431385D+02 -0.660902D+01 -0.196436D+01
      4   0.322229D+01  0.722921D+01 -0.136655D+02 -0.376314D+01  0.287100D+00
      5   0.255795D+01  0.118884D+01 -0.621052D+01 -0.343285D+01  0.353254D+01
      6   0.379345D+01  0.239157D+01  0.491573D+02  0.234660D+02 -0.272521D+01
               341           342           343           344           345 
      1  -0.304341D+02 -0.100516D+02 -0.297968D+01 -0.643626D+01 -0.123883D+01
      2   0.446861D+02  0.123001D+02  0.117078D+02  0.182971D+02  0.346989D+01
      3  -0.142519D+02 -0.224857D+01 -0.872811D+01 -0.118608D+02 -0.223107D+01
      4  -0.772332D+01 -0.136481D+01  0.146324D+02  0.261002D+02  0.598753D+01
      5  -0.115274D+01 -0.450040D+00  0.195723D+01  0.500340D+01  0.412270D+01
      6   0.175320D+02  0.111612D+02  0.451043D+01  0.391923D+01  0.294356D+01
               346           347           348           349           350 
      1  -0.148618D+02 -0.594706D+02 -0.155323D+02 -0.353092D+01 -0.212900D+02
      2   0.287097D+02  0.101648D+03  0.227926D+02  0.613504D+01  0.325231D+02
      3  -0.138479D+02 -0.421773D+02 -0.726029D+01 -0.260413D+01 -0.112331D+02
      4   0.236082D+02  0.537352D+02  0.144130D+02  0.747619D+01  0.164045D+02
      5   0.636538D+01  0.137869D+02  0.649858D+01  0.202402D+01  0.506271D+01
      6   0.978250D+01  0.290775D+02  0.172946D+02  0.443522D+01  0.150645D+02
               351           352           353           354           355 
      1  -0.875954D+01  0.520960D+02  0.201425D+02 -0.111126D+01  0.107112D+02
      2   0.111831D+02 -0.141037D+02  0.819923D+00  0.811001D+00  0.474485D+01
      3  -0.242354D+01 -0.379923D+02 -0.209624D+02  0.300258D+00 -0.154561D+02
      4   0.564109D+01  0.744957D+02  0.435792D+02 -0.208660D+01  0.325867D+02
      5   0.305473D+01 -0.348431D+01 -0.123333D+01  0.799640D+01  0.190262D+01
      6   0.875923D+01 -0.621034D+01 -0.390993D+01  0.551942D+01  0.734923D+00
               356           357           358           359           360 
      1   0.554106D+01  0.415015D+00 -0.328314D+01 -0.879096D+00  0.218580D+01
      2   0.755135D+01 -0.533153D-01  0.430212D+01  0.238462D+01 -0.405335D+00
      3  -0.130924D+02 -0.361700D+00 -0.101899D+01 -0.150552D+01 -0.178047D+01
      4   0.268175D+02  0.168948D+01  0.147857D+01  0.409367D+01  0.343592D+01
      5   0.124404D+01  0.263506D+01  0.279019D+01  0.233882D+01  0.197661D+01
      6  -0.136474D+01  0.227905D+01  0.105332D+01  0.186980D+01  0.101748D+01
               361           362           363           364           365 
      1   0.124112D+03 -0.151457D+02 -0.222548D+02 -0.785596D+01  0.180408D+02
      2  -0.724342D+02  0.755536D+01  0.171620D+02  0.222392D+01 -0.120304D+02
      3  -0.516777D+02  0.759036D+01  0.509289D+01  0.563204D+01 -0.601047D+01
      4  -0.143873D+02  0.311584D+02  0.656808D+01  0.676182D+02 -0.211343D+02
      5  -0.449701D+02  0.807600D+01  0.400082D+02  0.108321D+01 -0.243935D+02
      6   0.197239D+01 -0.916764D+01 -0.101736D+01 -0.242500D+02  0.639460D+01
               366           367           368           369           370 
      1  -0.133292D+01  0.736756D+01  0.936790D+00  0.196876D+01 -0.407421D+01
      2  -0.379719D+01  0.184127D+02 -0.355038D+01 -0.456424D+02  0.266347D+01
      3   0.513011D+01 -0.257803D+02  0.261359D+01  0.436736D+02  0.141074D+01
      4  -0.259311D+02  0.109782D+02 -0.120343D+02 -0.322228D+01 -0.211312D+01
      5  -0.109647D+02  0.615146D+02 -0.116428D+02 -0.542232D+02  0.494660D+01
      6   0.245162D+02 -0.700793D+00  0.165015D+02 -0.424037D+01  0.552794D+00
               371           372           373           374           375 
      1  -0.112528D+01  0.105336D+01 -0.465235D+01 -0.596718D+01 -0.141085D+01
      2  -0.128909D+01 -0.202136D+01  0.320546D+01 -0.180564D+01 -0.440031D+01
      3   0.241437D+01  0.967998D+00  0.144689D+01  0.777282D+01  0.581115D+01
      4  -0.101471D+01  0.832668D+00 -0.743008D+00 -0.316984D+01 -0.100903D+01
      5   0.423762D+01 -0.192334D+01  0.418847D+01  0.440471D+01 -0.337749D+01
      6  -0.783077D+00 -0.511648D+00 -0.171365D+00  0.116898D+01  0.102795D+01
               376           377           378 
      1  -0.574474D+00 -0.802728D+00 -0.399127D+01
      2   0.736901D+00 -0.300955D+01 -0.150495D+01
      3  -0.162428D+00  0.381228D+01  0.549622D+01
      4   0.122076D+01 -0.141652D+01 -0.772471D+00
      5   0.123764D+01  0.594977D-01 -0.355004D+00
      6  -0.775720D+00  0.115376D+01  0.237026D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.382937D+03      0.567454D+02      0.631378D+02
   aniso      0.231526D+03      0.343086D+02      0.381735D+02
   xx         0.465511D+03      0.689817D+02      0.767525D+02
   yx        -0.187879D+02     -0.278408D+01     -0.309771D+01
   yy         0.432123D+03      0.640341D+02      0.712475D+02
   zx         0.482989D+02      0.715716D+01      0.796341D+01
   zy         0.433926D+02      0.643012D+01      0.715447D+01
   zz         0.251176D+03      0.372204D+02      0.414133D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.382937D+03      0.567454D+02      0.631378D+02
   aniso      0.231526D+03      0.343086D+02      0.381735D+02
   xx         0.368485D+03      0.546039D+02      0.607550D+02
   yx         0.724993D+02      0.107433D+02      0.119535D+02
   yy         0.375305D+03      0.556145D+02      0.618795D+02
   zx        -0.891168D+02     -0.132058D+02     -0.146934D+02
   zy         0.655193D+02      0.970896D+01      0.108027D+02
   zz         0.405020D+03      0.600177D+02      0.667787D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K13-15-02\Freq\RLC-PBEPBE\Gen\C26H15Br1\PIERPA\19-Jul-202
 1\0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120
 ,Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0
 195000000,3/108=0195000000,3/119=1000000000,3/120=1000000000,3/130=-1,
 3/131=-1)\\ROA calculations.\\0,1\H,-0.652976,0.2691,2.131879\C,0.0771
 18,-0.515898,2.016272\C,1.147355,-0.563978,2.876118\H,1.246861,0.18789
 ,3.648057\C,2.106939,-1.581823,2.761904\H,2.960929,-1.600767,3.426187\
 C,1.93171,-2.571919,1.82798\H,2.63514,-3.392515,1.75871\C,0.821522,-2.
 563238,0.958527\C,0.572868,-3.662981,0.087518\C,-0.095253,-1.476611,0.
 997501\C,-1.19269,-1.441893,0.051784\C,-1.506727,-2.642536,-0.624596\C
 ,-0.579615,-3.72661,-0.622566\C,-2.035643,-0.291576,-0.177518\C,-3.356
 973,-0.534957,-0.639268\C,-3.69251,-1.798848,-1.190783\C,-2.761886,-2.
 786096,-1.271742\C,-1.648813,1.086948,0.01454\C,-2.666637,2.048502,0.2
 08501\C,-4.021272,1.709542,-0.047099\C,-4.337685,0.487361,-0.549941\C,
 -0.287114,1.5734,-0.077792\C,-2.332234,3.372974,0.618459\C,-1.040913,3
 .763875,0.750029\C,0.014713,2.893138,0.356628\C,1.350986,3.343894,0.33
 2494\C,2.364583,2.558938,-0.15639\C,2.037889,1.298263,-0.67409\C,0.755
 945,0.815557,-0.650086\H,1.288903,-4.474696,0.057484\H,-0.817831,-4.60
 275,-1.212841\H,-4.691768,-1.942773,-1.582177\H,-2.987639,-3.723712,-1
 .763936\H,-4.781726,2.467364,0.093003\H,-5.350606,0.258294,-0.856644\H
 ,-3.141496,4.061419,0.827867\H,-0.794276,4.761695,1.090549\H,1.568632,
 4.342013,0.692153\H,3.386563,2.908506,-0.172645\Br,3.423691,0.22487,-1
 .431958\H,0.548148,-0.150081,-1.077456\\Version=ES64L-G16RevA.03\State
 =1-A\HF=-3574.4955792\RMSD=5.195e-09\RMSF=8.145e-06\ZeroPoint=0.324123
 2\Thermal=0.3429809\Dipole=-0.557213,0.2192564,0.3030599\DipoleDeriv=0
 .0251068,0.055125,0.004083,0.0527611,0.0070512,-0.0375854,-0.016763,-0
 .0475731,0.0997802,-0.0625837,-0.0323838,0.0022154,-0.0111318,-0.01334
 77,0.0276621,-0.0455665,0.0487995,-0.1250436,-0.0782672,-0.027437,0.02
 10001,-0.0612083,0.0053351,0.1023601,-0.0186553,0.1080843,-0.0291205,0
 .0646002,0.0215086,-0.0323363,-0.0083949,0.0160153,-0.1224809,-0.02464
 72,-0.0804552,0.0174085,0.0481138,-0.0312341,0.0887784,-0.0307178,-0.0
 841822,0.022526,0.084153,0.0177601,-0.0612583,-0.0273863,0.0315001,-0.
 1145524,0.0126796,0.0871882,-0.0176968,-0.1002792,-0.0124264,0.0250776
 ,0.0392138,-0.1236237,0.0344307,-0.1525372,0.0708084,0.0068079,-0.0168
 94,0.041907,-0.1016433,0.0083087,0.0822951,-0.0355397,0.1001473,-0.023
 7122,-0.0210384,0.009803,-0.0485361,0.0946438,-0.0266656,0.1066923,0.0
 722162,0.1132499,-0.035914,0.0405131,0.0158887,0.0287544,0.0077587,-0.
 0025823,-0.0730431,0.0001035,-0.0389073,0.0112507,0.1089969,0.0604962,
 0.0475651,-0.0357995,-0.0109305,0.0162767,0.0168706,0.0386846,-0.14827
 29,0.0223985,0.0694963,0.0098851,0.1250833,-0.0346981,-0.0847861,0.044
 0181,-0.097684,-0.0314273,-0.0780547,0.1828618,-0.1161271,0.1219797,0.
 1564855,-0.1290656,0.0194102,-0.0708298,-0.1070037,-0.0788321,-0.08457
 36,-0.0351934,-0.1163004,-0.0711775,0.02652,0.0332828,-0.0570691,0.139
 64,0.0508569,-0.0226154,0.1600572,-0.1071071,-0.0704698,-0.0286901,0.0
 133229,-0.0178737,0.2449966,-0.0930236,0.0264724,-0.2067986,-0.0628317
 ,-0.1870131,-0.0491359,-0.0763976,-0.0531059,-0.0181595,0.039672,-0.09
 44332,0.1720725,-0.0177906,0.0775009,0.0970381,0.029493,0.0387231,0.01
 35588,0.0503671,0.0686927,0.0993543,-0.1073126,-0.008725,0.0380638,0.0
 895058,0.0497589,-0.0175831,0.1470825,0.0748067,0.0672694,-0.0290609,-
 0.0299884,0.1252023,-0.0360258,0.1630858,0.0870771,-0.0303268,-0.13710
 07,-0.083116,-0.0414856,-0.0182663,0.1896644,0.0704321,0.1206563,-0.04
 80726,0.0146989,0.1522229,0.1070656,0.0090361,0.0935094,-0.0545424,-0.
 0335772,-0.1100592,-0.0921131,0.0652823,-0.0038085,0.0070867,-0.116627
 1,0.1089074,-0.1071598,0.1014369,-0.0167882,0.0169379,0.0379974,0.0618
 717,0.036812,-0.0875762,0.1887443,0.0821329,-0.0633843,-0.017567,-0.09
 92834,0.0247356,-0.1418305,0.009814,0.0663236,-0.0475152,-0.1511033,0.
 0030633,-0.0258461,0.1214645,0.039533,0.0241603,0.0803963,-0.122173,0.
 0301372,0.0148824,-0.0118462,-0.0667147,0.0325852,0.1159446,-0.0544044
 ,0.058526,-0.0793821,0.0255562,-0.0810275,-0.017723,-0.09538,-0.129001
 2,-0.0475175,0.0471939,-0.0514799,-0.0522582,0.0778347,0.0166756,-0.03
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 If fifty million people say a stupid thing,
 it is still a stupid thing.
                   -- Anatole France
 Job cpu time:      19 days  3 hours 26 minutes  4.0 seconds.
 Elapsed time:       2 days  9 hours 40 minutes 10.8 seconds.
 File lengths (MBytes):  RWF=   2875 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Mon Jul 19 04:54:19 2021.
